UCSF

ZINC35146935

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 19 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) -4.49 2.44 -75.75 6 9 0 167 270.245 7
Mid Mid (pH 6-8) -4.49 1.88 -68.24 5 9 -1 166 269.237 7

Activity (Go SEA)

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