UCSF

ZINC34610203

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) 0.62 -0.09 -8.94 2 4 0 63 223.272 5
Lo Low (pH 4.5-6) 0.62 0.33 -29.2 3 4 1 64 224.28 5

Activity (Go SEA)

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