UCSF

ZINC66391754

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2011 23 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) 3.66 7.7 -8.19 2 3 0 41 334.822 6
Lo Low (pH 4.5-6) 3.66 8.49 -43.95 3 3 1 46 335.83 6

Activity (Go SEA)

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