UCSF

ZINC43253683

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 4.40 7.15 -49.89 3 2 1 31 394.811 6
Hi High (pH 8-9.5) 4.40 6.88 -3.02 2 2 0 29 393.803 6
Mid Mid (pH 6-8) 4.40 8.63 -39.85 3 2 1 30 394.811 6
Mid Mid (pH 6-8) 4.40 8.92 -128.41 4 2 2 32 395.819 6

Activity (Go SEA)

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