UCSF

ZINC63502504

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2011 21 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) 1.64 7.26 -48.34 2 7 1 77 289.363 5
Hi High (pH 8-9.5) 1.46 6.4 -31.31 1 7 0 83 288.355 5

Activity (Go SEA)

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