UCSF

ZINC22564595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.13 5.69 -101.36 4 3 2 35 249.402 4
Hi High (pH 8-9.5) 0.13 3 -2.54 2 3 0 32 247.386 4
Hi High (pH 8-9.5) 0.13 3.32 -49.62 3 3 1 34 248.394 4
Mid Mid (pH 6-8) 0.13 4.59 -29.9 3 3 1 34 248.394 4

Activity (Go SEA)

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