UCSF

ZINC37870594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.33 -1.52 -47.98 5 5 1 89 209.225 2
Mid Mid (pH 6-8) -2.33 -1.84 -10.37 4 5 0 88 208.217 2

Activity (Go SEA)

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