UCSF

ZINC34682884

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 4.49 13.07 -69.48 1 5 1 43 465.536 9
Mid Mid (pH 6-8) 4.49 10.84 -13.68 0 5 0 42 464.528 9

Activity (Go SEA)

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