UCSF

ZINC13127835

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 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) 2.79 6.62 -10.93 1 6 0 67 337.408 1
Mid Mid (pH 6-8) 2.33 7.88 -32.49 1 6 0 66 337.408 0
Lo Low (pH 4.5-6) 2.33 10.75 -99.94 3 6 2 69 339.424 0

Activity (Go SEA)

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