UCSF

ZINC42431901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) 4.38 8.63 -37.08 2 1 1 17 260.407 3
Mid Mid (pH 6-8) 4.38 7.3 -5.35 1 1 0 12 259.399 3

Activity (Go SEA)

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