UCSF

ZINC44646664

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.78 6.22 -50.15 3 4 1 59 264.374 5
Hi High (pH 8-9.5) 2.60 3.39 -46.83 1 4 -1 60 262.358 5
Hi High (pH 8-9.5) 2.78 4.87 -13.94 2 4 0 54 263.366 5
Mid Mid (pH 6-8) 2.60 4.78 -42.32 2 4 0 65 263.366 5

Activity (Go SEA)

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