UCSF

ZINC56950736

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 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) 1.59 6.19 -10.1 1 5 0 53 347.484 7
Mid Mid (pH 6-8) 1.59 8.41 -51.75 2 5 1 54 348.492 7

Activity (Go SEA)

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