UCSF

ZINC19802489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.31 3.74 -95.37 5 4 2 61 259.438 8
Hi High (pH 8-9.5) 1.31 3.45 -38.36 4 4 1 60 258.43 8
Hi High (pH 8-9.5) 1.31 1.39 -6.74 3 4 0 58 257.422 8
Hi High (pH 8-9.5) 1.31 1.68 -44.96 4 4 1 60 258.43 8

Activity (Go SEA)

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