UCSF

ZINC57918138

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 22 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) 2.40 5.76 -10.13 0 4 0 27 319.44 8
Lo Low (pH 4.5-6) 2.40 8.08 -38.64 1 4 1 28 320.448 8
Lo Low (pH 4.5-6) 2.40 8.01 -36.04 1 4 1 28 320.448 8

Activity (Go SEA)

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