UCSF

ZINC23318768

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.73 11.66 -20.42 2 7 0 78 461.541 7
Mid Mid (pH 6-8) 4.73 11.98 -48.12 3 7 1 79 462.549 7

Activity (Go SEA)

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