UCSF

ZINC39225815

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 13 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) 0.37 2.9 -7.71 4 4 0 70 174.207 1
Mid Mid (pH 6-8) 0.37 3.41 -30.57 5 4 1 71 175.215 1

Activity (Go SEA)

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