UCSF

ZINC39325300

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 29 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) 3.05 7.48 -62.36 2 6 -1 106 402.304 3
Lo Low (pH 4.5-6) 3.05 7.11 -17.98 3 6 0 103 403.312 3

Activity (Go SEA)

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