UCSF

ZINC37828017

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) -0.48 3.41 -57.97 0 7 -1 104 304.344 6
Lo Low (pH 4.5-6) -0.48 1.43 -20.02 1 7 0 101 305.352 6

Activity (Go SEA)

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