UCSF

ZINC43477921

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 4.10 6.69 -57.58 3 2 1 37 298.74 4
Hi High (pH 8-9.5) 4.10 5.58 -8.16 2 2 0 32 297.732 4
Hi High (pH 8-9.5) 4.10 7.46 -68.38 2 2 0 40 297.732 4

Activity (Go SEA)

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