UCSF

ZINC19864219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 25 No

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) 1.47 3.26 -114.98 1 8 -2 139 366.395 5
Lo Low (pH 4.5-6) 1.47 2.13 -55.67 2 8 -1 136 367.403 5

Activity (Go SEA)

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