UCSF

ZINC34670619

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 22 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) 3.20 4.53 -7.74 1 4 0 42 299.37 5
Lo Low (pH 4.5-6) 3.20 6.81 -41.27 2 4 1 43 300.378 5

Activity (Go SEA)

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