UCSF

ZINC39244301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 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) 2.43 6.38 -27.19 3 3 1 47 227.287 4
Mid Mid (pH 6-8) 2.30 6.1 -7.73 2 3 0 48 226.279 3

Activity (Go SEA)

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