UCSF

ZINC26511060

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 10 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) -1.10 -1.08 -61.75 4 4 1 73 140.166 2
Mid Mid (pH 6-8) -0.64 -2.17 -71.12 3 4 0 76 139.158 2

Activity (Go SEA)

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