UCSF

ZINC37055857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 3.42 6.94 -4.51 1 2 0 25 324.165 3
Lo Low (pH 4.5-6) 3.42 7.41 -35.84 2 2 1 26 325.173 3

Activity (Go SEA)

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