UCSF

ZINC42461932

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.26 1.48 -1.56 2 3 0 38 212.337 1
Mid Mid (pH 6-8) 1.26 3.74 -110.2 4 3 2 41 214.353 1
Lo Low (pH 4.5-6) 1.26 3.6 -27.14 3 3 1 40 213.345 1

Activity (Go SEA)

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