UCSF

ZINC36883845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 1.35 5.96 -90.7 3 3 2 24 227.396 5
Mid Mid (pH 6-8) 1.35 5.53 -110.65 3 3 2 24 227.396 5
Mid Mid (pH 6-8) 1.35 3.6 -35.73 2 3 1 23 226.388 5

Activity (Go SEA)

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