UCSF

ZINC42433443

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) -0.14 0.92 -29 4 3 1 51 185.291 2
Lo Low (pH 4.5-6) -0.14 1.34 -104.27 5 3 2 52 186.299 2

Activity (Go SEA)

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