UCSF

ZINC24977482

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 26 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) -0.05 1.86 -20.02 1 7 0 89 395.506 6
Mid Mid (pH 6-8) -0.05 3.28 -73.1 2 7 1 93 396.514 6

Activity (Go SEA)

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