UCSF

ZINC37939861

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 2.26 5.5 -6.05 1 3 0 45 230.311 4
Lo Low (pH 4.5-6) 2.26 6.56 -42.59 2 3 1 50 231.319 4

Activity (Go SEA)

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