UCSF

ZINC34647049

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 5.21 11.02 -51.46 3 3 1 42 345.466 6
Mid Mid (pH 6-8) 5.21 9.66 -7.68 2 3 0 37 344.458 6

Activity (Go SEA)

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