UCSF

ZINC37092493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.42 6.76 -42.75 2 2 1 20 293.397 4
Lo Low (pH 4.5-6) 3.42 8.97 -109.27 3 2 2 21 294.405 4

Activity (Go SEA)

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