UCSF

ZINC39912640

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 4.38 9.4 -11.62 2 7 0 91 466.541 7
Hi High (pH 8-9.5) 4.15 10.6 -47 0 7 -1 90 465.533 7
Hi High (pH 8-9.5) 4.15 10.12 -56.93 0 7 -1 90 465.533 7
Hi High (pH 8-9.5) 4.38 10.38 -39.55 1 7 -1 94 465.533 7

Activity (Go SEA)

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