UCSF

ZINC36998603

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 1.30 2.72 -13.68 3 5 0 73 234.303 6
Lo Low (pH 4.5-6) 1.30 2.77 -44.34 4 5 1 78 235.311 6

Activity (Go SEA)

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