UCSF

ZINC41652116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 22 No

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) 3.48 6.02 -6.58 0 4 0 43 299.37 1
Mid Mid (pH 6-8) 3.48 9 -41.42 1 4 1 44 300.378 1

Activity (Go SEA)

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