UCSF

ZINC00450295

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) 4.44 1.31 -12.93 1 4 0 46 327.387 3
Mid Mid (pH 6-8) 4.44 1.49 -27.63 2 4 1 47 328.395 3

Activity (Go SEA)

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