UCSF

ZINC31945551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 No

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) -0.50 2.41 -37.38 3 4 1 49 221.346 9
Mid Mid (pH 6-8) -0.50 -0.02 -10.56 2 4 0 48 220.338 9

Activity (Go SEA)

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