UCSF

ZINC42467032

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.22 1.56 -15.84 1 6 0 79 272.326 4
Hi High (pH 8-9.5) 0.68 -0.51 -49.19 0 6 -1 83 271.318 4

Activity (Go SEA)

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