UCSF

ZINC40808817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 0.47 3.3 -86.94 5 5 2 64 286.464 10
Hi High (pH 8-9.5) 0.47 0.92 -47.68 4 5 1 63 285.456 10
Mid Mid (pH 6-8) 0.47 3.19 -90.31 5 5 2 64 286.464 10

Activity (Go SEA)

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