UCSF

ZINC42584382

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 1.96 4.63 -37.46 2 2 1 20 199.362 4
Hi High (pH 8-9.5) 1.96 4.88 -27.52 2 2 1 16 199.362 4
Hi High (pH 8-9.5) 1.96 2.72 -0.45 1 2 0 15 198.354 4
Mid Mid (pH 6-8) 1.96 6.31 -102.26 3 2 2 21 200.37 4

Activity (Go SEA)

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