UCSF

ZINC57931665

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 25 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) -0.52 0.12 -18.46 2 8 0 106 374.369 4
Hi High (pH 8-9.5) 0.39 -2.03 -52.06 1 8 -1 109 373.361 4

Activity (Go SEA)

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