UCSF

ZINC19418815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 14 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) 0.52 1.38 -32.93 2 3 1 28 199.318 3
Mid Mid (pH 6-8) 0.52 1.5 -34.05 2 3 1 28 199.318 3

Activity (Go SEA)

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