UCSF

ZINC64034354

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2011 10 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) 0.72 1.23 -35.89 2 2 1 20 141.238 0
Hi High (pH 8-9.5) 0.72 -0.2 -1.2 1 2 0 15 140.23 0
Mid Mid (pH 6-8) 0.72 1.98 -30.81 2 2 1 16 141.238 0
Lo Low (pH 4.5-6) 0.72 3.4 -100.07 3 2 2 21 142.246 0

Activity (Go SEA)

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