UCSF

ZINC31966077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.68 5.25 -57.33 2 6 -1 94 278.332 8
Lo Low (pH 4.5-6) 1.68 4.13 -17.67 3 6 0 91 279.34 8

Activity (Go SEA)

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