UCSF

ZINC34848916

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 4.99 12.29 -13.7 0 6 0 51 487.003 6
Mid Mid (pH 6-8) 4.99 14.5 -55.49 1 6 1 52 488.011 6

Activity (Go SEA)

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