UCSF

ZINC36682891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 0.99 1.66 -14.43 1 6 0 82 255.299 5
Mid Mid (pH 6-8) 0.99 1.66 -46.22 0 6 -1 85 254.291 5

Activity (Go SEA)

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