UCSF

ZINC41677358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 11 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) 1.17 1.7 -31.9 3 2 1 37 172.273 3
Mid Mid (pH 6-8) 1.17 0.34 -4.54 2 2 0 32 171.265 3

Activity (Go SEA)

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