UCSF

ZINC44650514

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.12 3.35 -42.57 2 5 1 49 270.397 5
Mid Mid (pH 6-8) 0.12 5.35 -91.1 3 5 2 51 271.405 5

Activity (Go SEA)

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