UCSF

ZINC35546068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 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) 5.15 15.29 -15.96 0 4 0 28 469.604 7
Mid Mid (pH 6-8) 5.15 17.5 -56.85 1 4 1 30 470.612 7

Activity (Go SEA)

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