UCSF

ZINC19920445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 4.07 8.62 -7.43 1 3 0 30 285.778 3
Mid Mid (pH 6-8) 4.07 9.08 -31.39 2 3 1 31 286.786 3

Activity (Go SEA)

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