UCSF

ZINC25399315

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 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) 0.26 2.97 -43.49 3 7 1 89 321.353 4
Hi High (pH 8-9.5) 0.07 2.33 -36.59 2 7 0 96 320.345 4
Hi High (pH 8-9.5) 0.26 0.95 -13.84 2 7 0 88 320.345 4

Activity (Go SEA)

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