UCSF

ZINC19368699

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 11 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) -0.96 -0.56 -95.87 5 3 2 47 159.277 3
Hi High (pH 8-9.5) -0.96 -1.97 -43.71 4 3 1 43 158.269 3

Activity (Go SEA)

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