UCSF

ZINC46437935

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 20 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) 2.13 7.76 -45.18 1 4 1 34 297.806 6
Mid Mid (pH 6-8) 2.13 5.5 -6.3 0 4 0 33 296.798 6
Mid Mid (pH 6-8) 2.13 7.77 -43.05 1 4 1 34 297.806 6

Activity (Go SEA)

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