UCSF

ZINC32007292

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

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) 1.16 2.06 -51.72 4 2 1 48 180.271 2
Hi High (pH 8-9.5) 1.16 1.75 -5.16 3 2 0 46 179.263 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0713848A1; EP0713848B1; EP0735142A2; EP0736509A2; EP0736509A3; US5717116; US5801280; US6025531 IBM Patent Data

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