UCSF

ZINC42305067

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 3.47 8.52 -6.89 1 3 0 38 269.344 6
Mid Mid (pH 6-8) 3.47 9.55 -35.99 2 3 1 43 270.352 6

Activity (Go SEA)

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