UCSF

ZINC39912648

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 38 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) 4.61 10.33 -17.43 2 8 0 101 512.61 9
Hi High (pH 8-9.5) 4.38 11.24 -62.34 0 8 -1 99 511.602 9
Hi High (pH 8-9.5) 4.38 10.75 -52.86 0 8 -1 99 511.602 9
Hi High (pH 8-9.5) 4.61 11.19 -43.98 1 8 -1 103 511.602 9

Activity (Go SEA)

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