UCSF

ZINC44651351

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 12 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) -0.69 -0.29 -96.93 6 4 2 73 175.276 7
Hi High (pH 8-9.5) -0.69 -1.65 -49.97 5 4 1 69 174.268 7

Activity (Go SEA)

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