UCSF

ZINC39912634

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) 4.79 10.19 -17.55 2 8 0 101 512.61 9
Hi High (pH 8-9.5) 4.56 11.1 -62.08 0 8 -1 99 511.602 9
Hi High (pH 8-9.5) 4.56 10.6 -53.08 0 8 -1 99 511.602 9
Hi High (pH 8-9.5) 4.79 11.05 -43.83 1 8 -1 103 511.602 9

Activity (Go SEA)

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