UCSF

ZINC21664313

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 3.73 8.44 -54.7 3 7 1 86 473.663 10
Hi High (pH 8-9.5) 3.73 7.02 -15.05 2 7 0 82 472.655 10
Hi High (pH 8-9.5) 3.73 8.51 -73.82 2 7 0 88 472.655 10

Activity (Go SEA)

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