UCSF

ZINC21800151

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 28 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) 3.02 7.14 -24.09 1 6 0 59 398.894 6
Mid Mid (pH 6-8) 3.02 7.54 -34.75 2 6 1 61 399.902 6
Mid Mid (pH 6-8) 3.02 9.45 -62.5 2 6 1 61 399.902 6
Lo Low (pH 4.5-6) 3.02 9.85 -114.54 3 6 2 62 400.91 6

Activity (Go SEA)

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