UCSF

ZINC00419074

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) 4.33 8.84 -28.16 2 3 1 43 339.484 2
Mid Mid (pH 6-8) 4.33 7.93 -7.3 1 3 0 41 338.476 2

Activity (Go SEA)

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