UCSF

ZINC03893165

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 25 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) 1.91 10.12 -13.73 1 8 0 88 344.371 6
Hi High (pH 8-9.5) 2.08 9.72 -37.51 0 8 -1 89 343.363 6
Lo Low (pH 4.5-6) 2.08 10.39 -55.75 2 8 1 92 345.379 6

Activity (Go SEA)

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