UCSF

ZINC06349557

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 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) 2.04 7.23 -35.26 4 5 1 78 260.317 4
Mid Mid (pH 6-8) 1.29 7.38 -10.07 3 5 0 85 259.309 3
Mid Mid (pH 6-8) 2.17 6.24 -6.81 3 5 0 74 259.309 4

Activity (Go SEA)

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