UCSF

ZINC44025963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 24 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) 3.00 7.08 -10.24 1 5 0 72 341.388 5
Hi High (pH 8-9.5) 3.46 5.1 -52.94 0 5 -1 75 340.38 5
Hi High (pH 8-9.5) 3.46 5.58 -57.06 0 5 -1 75 340.38 5
Mid Mid (pH 6-8) 4.07 5.64 -56.79 0 5 -1 75 340.38 5

Activity (Go SEA)

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