UCSF

ZINC57744957

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 25 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) -0.10 3.61 -48.18 3 7 1 73 350.487 8
Mid Mid (pH 6-8) -0.10 5.93 -79.02 4 7 2 74 351.495 8

Activity (Go SEA)

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