UCSF

ZINC53651954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 15 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) 1.37 4.28 -29.49 2 3 1 29 213.345 6
Mid Mid (pH 6-8) 1.37 6.19 -101.02 3 3 2 30 214.353 6

Activity (Go SEA)

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