UCSF

ZINC57995832

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 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) 3.07 9.76 -17.55 1 6 0 65 381.476 10
Mid Mid (pH 6-8) 3.07 10.25 -37.51 2 6 1 67 382.484 10

Activity (Go SEA)

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