UCSF

ZINC42468012

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.21 4.55 -36.8 3 3 1 40 249.378 6
Hi High (pH 8-9.5) 0.21 4.17 -2.79 2 3 0 38 248.37 6
Mid Mid (pH 6-8) 0.21 6.55 -119.05 4 3 2 41 250.386 6

Activity (Go SEA)

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