UCSF

ZINC20217845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) -1.06 5.56 -109.58 4 4 2 52 249.358 2
Hi High (pH 8-9.5) -1.06 3.23 -9.28 2 4 0 50 247.342 2
Mid Mid (pH 6-8) -1.06 5.23 -50.62 3 4 1 51 248.35 2

Activity (Go SEA)

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