UCSF

ZINC39912108

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.27 9.89 -14.93 2 7 0 88 461.562 9
Hi High (pH 8-9.5) 5.04 10.41 -57.97 0 7 -1 87 460.554 9
Hi High (pH 8-9.5) 5.04 10.19 -51.37 0 7 -1 87 460.554 9
Hi High (pH 8-9.5) 5.27 10.83 -43.4 1 7 -1 91 460.554 9

Activity (Go SEA)

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