UCSF

ZINC59867993

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 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) 1.43 4.99 -12.96 2 5 0 57 339.439 3
Mid Mid (pH 6-8) 1.43 6.73 -35.55 3 5 1 59 340.447 3

Activity (Go SEA)

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