UCSF

ZINC00526144

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 1.47 -0.97 -11.64 1 8 0 86 339.355 3
Mid Mid (pH 6-8) 1.47 -0.73 -35.28 2 8 1 87 340.363 3

Activity (Go SEA)

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