UCSF

ZINC41198879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 3.11 7.83 -35.38 2 2 1 29 303.476 3
Mid Mid (pH 6-8) 3.11 6.91 -5.84 1 2 0 25 302.468 3

Activity (Go SEA)

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