UCSF

ZINC34610212

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 2.63 4.11 -6.47 1 4 0 52 251.326 6
Lo Low (pH 4.5-6) 2.63 4.52 -34.28 2 4 1 53 252.334 6

Activity (Go SEA)

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