UCSF

ZINC45300312

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 35 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) -0.77 -1.44 -296.41 14 11 4 196 490.605 15
Hi High (pH 8-9.5) -0.77 -3.15 -94.42 12 11 2 190 488.589 15
Hi High (pH 8-9.5) -0.77 -4.52 -49.99 11 11 1 186 487.581 15
Hi High (pH 8-9.5) -0.77 -4.13 -97 12 11 2 187 488.589 15

Activity (Go SEA)

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