UCSF

ZINC20588644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 29 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) 0.98 4.82 -44.23 4 8 1 101 398.487 5
Hi High (pH 8-9.5) 0.98 4.41 -17.01 3 8 0 99 397.479 5
Hi High (pH 8-9.5) 0.98 4.33 -16.61 3 8 0 99 397.479 5
Mid Mid (pH 6-8) 0.98 5.51 -60.39 4 8 1 104 398.487 5

Activity (Go SEA)

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