UCSF

ZINC13961452

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 3.35 6.87 -21.58 2 4 0 54 330.334 5
Mid Mid (pH 6-8) 3.42 5.64 -37.07 3 4 1 59 331.342 5

Activity (Go SEA)

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