UCSF

ZINC37979758

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) 0.01 1.73 -49.45 4 6 1 90 297.766 4
Mid Mid (pH 6-8) 0.01 -0.47 -16.42 3 6 0 88 296.758 4

Activity (Go SEA)

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