UCSF

ZINC44649976

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.41 3.3 -44.06 2 5 1 53 263.365 5
Hi High (pH 8-9.5) -0.41 1.93 -9.83 1 5 0 48 262.357 5
Mid Mid (pH 6-8) -0.41 5.51 -99.94 3 5 2 54 264.373 5
Mid Mid (pH 6-8) -0.41 4.03 -82.98 3 5 2 54 264.373 5

Activity (Go SEA)

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