UCSF

ZINC00423526

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.32 4.94 -61.79 0 5 -1 70 347.803 4
Mid Mid (pH 6-8) 3.32 4.92 -15.35 1 5 0 68 348.811 4
Lo Low (pH 4.5-6) 3.32 5.46 -45.28 1 5 0 72 348.811 4

Activity (Go SEA)

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