UCSF

ZINC24887224

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.84 5.34 -45.08 2 5 1 49 278.424 5
Hi High (pH 8-9.5) 1.84 8.24 -39.13 2 5 1 45 278.424 5
Hi High (pH 8-9.5) 1.84 5.78 -6.22 1 5 0 44 277.416 5
Mid Mid (pH 6-8) 1.84 7.88 -120.14 3 5 2 50 279.432 5
Lo Low (pH 4.5-6) 1.84 8.24 -175.03 4 5 3 51 280.44 5

Activity (Go SEA)

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