UCSF

ZINC43262894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.48 7.29 -37.15 3 2 1 31 348.374 7
Hi High (pH 8-9.5) 4.48 6.63 -0.88 2 2 0 29 347.366 7
Mid Mid (pH 6-8) 4.48 7.83 -34.96 3 2 1 30 348.374 7
Mid Mid (pH 6-8) 4.48 8.12 -115.93 4 2 2 32 349.382 7

Activity (Go SEA)

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