UCSF

ZINC21800160

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) 2.55 6.69 -21.77 1 6 0 59 382.439 6
Mid Mid (pH 6-8) 2.55 7.1 -34.93 2 6 1 61 383.447 6
Mid Mid (pH 6-8) 2.55 9 -61.44 2 6 1 61 383.447 6
Lo Low (pH 4.5-6) 2.55 9.41 -116.05 3 6 2 62 384.455 6

Activity (Go SEA)

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