UCSF

ZINC43261537

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) 3.80 6.31 -44.55 3 2 1 31 332.331 4
Hi High (pH 8-9.5) 3.80 7.64 -32.23 3 2 1 30 332.331 4
Hi High (pH 8-9.5) 3.80 5.81 -0.9 2 2 0 29 331.323 4
Lo Low (pH 4.5-6) 3.80 7.97 -119.57 4 2 2 32 333.339 4

Activity (Go SEA)

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