UCSF

ZINC37788746

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 1.33 5.48 -55.82 2 6 -1 98 289.311 5
Lo Low (pH 4.5-6) 1.33 3.9 -20.91 3 6 0 95 290.319 5

Activity (Go SEA)

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