UCSF

ZINC01644041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.29 -5.14 -19.98 4 10 0 139 296.298 3
Lo Low (pH 4.5-6) 0.29 -4.87 -89.37 6 10 2 141 298.314 3

Activity (Go SEA)

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