UCSF

ZINC34580302

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 3.39 5.22 -2.71 2 2 0 24 192.306 6
Lo Low (pH 4.5-6) 3.39 5.77 -33.47 3 2 1 29 193.314 6

Activity (Go SEA)

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