UCSF

ZINC26898955

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 2.39 6.27 -37 1 3 1 21 271.182 2
Mid Mid (pH 6-8) 2.39 3.9 -3.49 0 3 0 19 270.174 2

Activity (Go SEA)

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