UCSF

ZINC34569995

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 6.05 14.79 -10.16 0 3 0 33 447.003 2
Lo Low (pH 4.5-6) 6.05 14.98 -42.83 1 3 1 34 448.011 2

Activity (Go SEA)

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