UCSF

ZINC37338146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 2.46 6.19 -10.2 0 4 0 39 277.364 4
Lo Low (pH 4.5-6) 2.46 8.31 -37.45 1 4 1 40 278.372 4

Activity (Go SEA)

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