UCSF

ZINC22591144

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 19 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) -0.36 0.97 -39.58 3 6 1 66 269.369 5
Hi High (pH 8-9.5) -0.36 1.04 -47.75 3 6 1 66 269.369 5
Mid Mid (pH 6-8) -0.36 -1.07 -11.88 2 6 0 65 268.361 5
Lo Low (pH 4.5-6) -0.36 3.28 -113.78 4 6 2 67 270.377 5

Activity (Go SEA)

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