UCSF

ZINC21640139

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 33 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) 4.09 8.63 -9.85 0 7 0 54 445.567 6
Lo Low (pH 4.5-6) 4.09 8.94 -37.97 1 7 1 55 446.575 6
Lo Low (pH 4.5-6) 4.09 11.05 -44.87 1 7 1 55 446.575 6

Activity (Go SEA)

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