UCSF

ZINC13125297

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 21 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) 1.02 9.13 -11.87 1 7 0 82 285.307 4
Mid Mid (pH 6-8) 1.20 9.43 -15.84 1 7 0 85 285.307 4
Mid Mid (pH 6-8) 1.20 8.92 -37.8 0 7 -1 83 284.299 4
Lo Low (pH 4.5-6) 1.20 9.6 -53.29 2 7 1 86 286.315 4

Activity (Go SEA)

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