UCSF

ZINC19928638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 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) 3.32 10.89 -73.04 1 7 0 77 451.567 9
Hi High (pH 8-9.5) 3.32 8.35 -61.4 0 7 -1 76 450.559 9

Activity (Go SEA)

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