UCSF

ZINC36891774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 0.87 3.24 -48.1 3 5 1 72 240.279 7
Hi High (pH 8-9.5) 0.87 1.87 -9.13 2 5 0 68 239.271 7

Activity (Go SEA)

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