UCSF

ZINC20433814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) -1.29 -1.26 -92.78 5 5 2 70 203.286 4
Hi High (pH 8-9.5) -1.29 -3.8 -42.06 4 5 1 69 202.278 4
Hi High (pH 8-9.5) -1.29 -2.55 -45.16 4 5 1 66 202.278 4
Hi High (pH 8-9.5) -1.29 -5.09 -11.97 3 5 0 65 201.27 4

Activity (Go SEA)

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