UCSF

ZINC45685414

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.81 6.46 -38.37 2 3 1 29 271.469 7
Mid Mid (pH 6-8) 3.81 7.83 -106.9 3 3 2 30 272.477 7

Activity (Go SEA)

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