UCSF

ZINC43969039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.32 5.47 -100.52 3 3 2 30 202.342 5
Hi High (pH 8-9.5) 1.32 3.88 -33.02 2 3 1 29 201.334 5
Hi High (pH 8-9.5) 1.32 3.16 -1.05 1 3 0 24 200.326 5
Mid Mid (pH 6-8) 1.32 4.85 -26.64 2 3 1 26 201.334 5

Activity (Go SEA)

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