UCSF

ZINC14951118

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 33 No

Popular Name: Hirsutrin Hirsutrin

Find On: PubMed — Wikipedia — Google

CAS Number: 21637-25-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.36 -9.48 -38.74 8 12 0 211 464.379 4 ↓
Hi High (pH 8-9.5) -0.36 -8.47 -86.85 7 12 -1 213 463.371 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0065123A1; EP0524744B1; EP0571520B1; EP0577143A2; EP0577143A3; EP0577143B1; EP0633022A2; EP0633022B1; EP0648496A1; EP0697878A1; EP0697878B1; EP0702957A1; EP0702957B1; EP0714296A1; EP0742012A2; EP0825196A3; EP0862057A1; EP0914139A2; EP0945126A2; EP094512 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.