UCSF

ZINC25357961

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 26 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) 4.36 10.72 -37.57 2 4 1 35 420.371 8
Mid Mid (pH 6-8) 4.36 8.46 -48.21 2 4 1 38 420.371 8
Mid Mid (pH 6-8) 4.36 8.61 -6.16 1 4 0 34 419.363 8
Lo Low (pH 4.5-6) 4.36 10.56 -129.96 3 4 2 40 421.379 8

Activity (Go SEA)

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