UCSF

ZINC00821865

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 23 No

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) 4.39 4.39 -12.65 3 6 0 95 439.063 2
Hi High (pH 8-9.5) 4.85 3.65 -100.37 1 6 -2 100 437.047 2
Hi High (pH 8-9.5) 4.85 2.64 -43.46 2 6 -1 98 438.055 2
Hi High (pH 8-9.5) 5.30 2.98 -49.33 2 6 -1 101 438.055 2
Hi High (pH 8-9.5) 5.30 3.98 -122.1 1 6 -2 104 437.047 2

Activity (Go SEA)

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