UCSF

ZINC04239969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 1.45 2.57 -22.92 2 8 0 107 365.411 6
Mid Mid (pH 6-8) 1.62 2.99 -27.86 2 8 0 110 365.411 5

Activity (Go SEA)

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