UCSF

ZINC37846512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 3.46 6.98 -47.5 3 3 1 40 293.475 9
Mid Mid (pH 6-8) 3.46 7.83 -31.34 3 3 1 40 293.475 9
Mid Mid (pH 6-8) 3.46 8.13 -122.08 4 3 2 41 294.483 9

Activity (Go SEA)

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