UCSF

ZINC34615744

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 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) 4.12 9 -10.1 2 5 0 70 335.407 5
Lo Low (pH 4.5-6) 4.12 9.13 -28.61 3 5 1 72 336.415 5

Activity (Go SEA)

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