UCSF

ZINC19402137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 2.85 7.3 -132.71 4 2 2 32 242.794 6
Mid Mid (pH 6-8) 2.85 5.45 -50.09 3 2 1 31 241.786 6

Activity (Go SEA)

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