UCSF

ZINC37828213

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 0.97 5.02 -68.61 0 6 -1 95 302.372 6
Lo Low (pH 4.5-6) 0.97 3.39 -20.88 1 6 0 92 303.38 6

Activity (Go SEA)

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