UCSF

ZINC37836089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.03 1.6 -53.7 2 7 -1 110 285.32 7
Lo Low (pH 4.5-6) -1.03 -0.38 -16.73 3 7 0 107 286.328 7

Activity (Go SEA)

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