UCSF

ZINC42860504

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 0.46 0.92 -44.74 3 3 1 44 200.331 5
Hi High (pH 8-9.5) 0.46 2.59 -33.32 3 3 1 43 200.331 5
Hi High (pH 8-9.5) 0.46 0.53 -4.67 2 3 0 42 199.323 5
Mid Mid (pH 6-8) 0.46 2.97 -102.44 4 3 2 45 201.339 5

Activity (Go SEA)

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