UCSF

ZINC59686767

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 22 Yes

CAS Number: 9003-01-4

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) 0.84 10 -317.67 0 8 -4 161 314.29 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0212705A1; US4982362 IBM Patent Data

Activity (Go SEA)

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

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