UCSF

ZINC00422678

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.63 8.35 -33.95 4 4 1 69 340.472 2
Mid Mid (pH 6-8) 3.63 7.95 -10.03 3 4 0 68 339.464 2

Activity (Go SEA)

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