UCSF

ZINC49662393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 2.54 5.38 -34.05 2 2 1 20 199.362 3
Hi High (pH 8-9.5) 2.54 5.46 -29.46 2 2 1 16 199.362 3
Hi High (pH 8-9.5) 2.54 4.16 -0.25 1 2 0 15 198.354 3

Activity (Go SEA)

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