UCSF

ZINC34948500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 5.15 12.08 -11.02 0 5 0 42 450.623 10
Mid Mid (pH 6-8) 5.15 14.37 -55.76 1 5 1 43 451.631 10

Activity (Go SEA)

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