UCSF

ZINC00499734

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 1.99 11.45 -12.77 0 4 0 36 266.348 4
Mid Mid (pH 6-8) 1.99 11.96 -38.15 1 4 1 37 267.356 4
Lo Low (pH 4.5-6) 1.99 12.47 -76.27 2 4 2 38 268.364 4

Activity (Go SEA)

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