UCSF

ZINC31920609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 3.63 6.92 -11.17 1 3 0 38 272.735 2
Lo Low (pH 4.5-6) 3.63 7.34 -28.43 2 3 1 39 273.743 2

Activity (Go SEA)

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