UCSF

ZINC37978838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 0.13 1.17 -12.95 1 6 0 66 296.758 3
Mid Mid (pH 6-8) 0.13 3.31 -50.41 2 6 1 67 297.766 3

Activity (Go SEA)

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