UCSF

ZINC01698035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 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) 0.60 4.92 -9.07 2 4 0 57 162.196 1
Lo Low (pH 4.5-6) 0.60 5.19 -27.79 3 4 1 58 163.204 1
Lo Low (pH 4.5-6) 0.60 1.47 -28.26 3 4 1 58 163.204 1

Activity (Go SEA)

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