UCSF

ZINC00794531

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 22 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) 3.40 9.16 -13.81 0 4 0 36 296.37 5
Lo Low (pH 4.5-6) 3.40 9.44 -33.68 1 4 1 38 297.378 5

Activity (Go SEA)

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