UCSF

ZINC43259650

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.74 6.02 -41.02 3 2 1 31 332.331 7
Hi High (pH 8-9.5) 3.74 5.71 -1.16 2 2 0 29 331.323 7
Mid Mid (pH 6-8) 3.74 7.44 -32.67 3 2 1 30 332.331 7
Mid Mid (pH 6-8) 3.74 7.75 -110.03 4 2 2 32 333.339 7

Activity (Go SEA)

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