UCSF

ZINC22564720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 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) -1.03 2.6 -41.51 5 5 1 83 278.376 5
Hi High (pH 8-9.5) -1.03 0.69 -10.58 4 5 0 82 277.368 5
Mid Mid (pH 6-8) -1.03 2.85 -136.24 6 5 2 84 279.384 5
Mid Mid (pH 6-8) -1.03 0.92 -48.28 5 5 1 83 278.376 5

Activity (Go SEA)

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