UCSF

ZINC31903378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 27 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) 3.71 10.62 -14.39 0 5 0 47 383.879 5
Mid Mid (pH 6-8) 3.71 11.14 -31.2 1 5 1 49 384.887 5

Activity (Go SEA)

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