UCSF

ZINC39287679

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 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) 1.22 1.6 -58.73 3 5 -1 95 227.627 4
Lo Low (pH 4.5-6) 1.22 -0.4 -14.29 4 5 0 92 228.635 4

Activity (Go SEA)

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