UCSF

ZINC34574097

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 5.92 13.3 -8.88 0 3 0 21 418.338 4
Lo Low (pH 4.5-6) 5.92 14.07 -33.12 1 3 0 22 419.346 4

Activity (Go SEA)

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