UCSF

ZINC22928836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 2.65 9.07 -55.89 3 6 1 71 478.013 6
Hi High (pH 8-9.5) 2.65 6.83 -19.91 2 6 0 70 477.005 6
Lo Low (pH 4.5-6) 2.65 8.75 -49.12 3 6 1 71 478.013 6

Activity (Go SEA)

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