UCSF

ZINC08271990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2006 9 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) 1.46 2.48 -2.11 1 1 0 20 126.199 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0310341A2; EP0310341B1; US5463118 IBM Patent Data

Activity (Go SEA)

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