UCSF

ZINC31909379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 1.80 9.51 -48.77 3 5 1 51 336.463 3
Mid Mid (pH 6-8) 1.80 9.91 -79.07 4 5 2 52 337.471 3
Mid Mid (pH 6-8) 1.80 7.03 -11.5 2 5 0 50 335.455 3
Mid Mid (pH 6-8) 1.80 7.84 -41.69 3 5 1 51 336.463 3

Activity (Go SEA)

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