UCSF

ZINC29248333

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 24 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) 1.99 7.48 -83.52 4 5 2 65 322.412 1
Mid Mid (pH 6-8) 1.99 5.1 -31.57 3 5 1 64 321.404 1

Activity (Go SEA)

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