UCSF

ZINC40489952

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 24 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) 2.92 9 -12.28 1 4 0 45 341.377 4
Lo Low (pH 4.5-6) 2.92 9.47 -38.95 2 4 1 46 342.385 4

Activity (Go SEA)

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