UCSF

ZINC42187217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.50 6.38 -101.41 3 3 2 36 195.31 3
Hi High (pH 8-9.5) 1.50 4.72 -5.57 1 3 0 30 193.294 3
Mid Mid (pH 6-8) 1.50 5.91 -37.05 2 3 1 34 194.302 3

Activity (Go SEA)

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