UCSF

ZINC51410396

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.31 6.43 -41.91 3 5 1 68 274.344 6
Mid Mid (pH 6-8) 1.31 5.66 -14.61 2 5 0 67 273.336 6

Activity (Go SEA)

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