UCSF

ZINC44648481

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.71 1.36 -47.86 5 5 1 89 254.285 6
Hi High (pH 8-9.5) 0.71 0.01 -16.17 4 5 0 84 253.277 6

Activity (Go SEA)

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