UCSF

ZINC43247516

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 14 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) 1.94 3.53 -38.82 3 2 1 31 213.37 4
Hi High (pH 8-9.5) 1.94 3.24 -1.76 2 2 0 29 212.362 4
Mid Mid (pH 6-8) 1.94 5.15 -32.22 3 2 1 30 213.37 4
Mid Mid (pH 6-8) 1.94 5.45 -106.93 4 2 2 32 214.378 4

Activity (Go SEA)

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