UCSF

ZINC45685541

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 No

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) 0.73 2 -52.84 4 5 1 83 240.279 7
Hi High (pH 8-9.5) 0.73 0.64 -9.66 3 5 0 79 239.271 7

Activity (Go SEA)

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