UCSF

ZINC43425003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.24 -0.01 -40.14 3 4 1 49 229.344 5
Hi High (pH 8-9.5) 0.24 -1.38 -3.85 2 4 0 45 228.336 5
Mid Mid (pH 6-8) 0.24 2.3 -103.09 4 4 2 51 230.352 5

Activity (Go SEA)

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