UCSF

ZINC20125885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.65 4.12 -33.95 3 4 1 46 266.34 4
Mid Mid (pH 6-8) 1.65 3.25 -40.33 3 4 1 49 266.34 4
Mid Mid (pH 6-8) 1.65 2.13 -4.96 2 4 0 44 265.332 4
Mid Mid (pH 6-8) 1.65 5.41 -115.17 4 4 2 50 267.348 4

Activity (Go SEA)

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