UCSF

ZINC37823912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.55 4.58 -11.12 2 4 0 59 269.348 4
Mid Mid (pH 6-8) -0.55 4.91 -48.3 3 4 1 61 270.356 4
Lo Low (pH 4.5-6) -0.55 5.37 -90.86 4 4 2 62 271.364 4

Activity (Go SEA)

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