UCSF

ZINC37870449

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 1.70 2.96 -34.58 4 4 1 69 275.25 6
Mid Mid (pH 6-8) 1.70 2.09 -4.78 3 4 0 64 274.242 6

Activity (Go SEA)

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