UCSF

ZINC42821786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.82 2.04 -42.35 3 3 1 40 213.345 2
Mid Mid (pH 6-8) 0.82 4.25 -102.68 4 3 2 41 214.353 2

Activity (Go SEA)

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