UCSF

ZINC33413294

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 36 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) 7.98 18.96 -29.62 2 5 1 57 484.664 10
Mid Mid (pH 6-8) 7.98 18.64 -16.74 1 5 0 56 483.656 10
Mid Mid (pH 6-8) 7.98 18.84 -37.08 2 5 1 60 484.664 10
Lo Low (pH 4.5-6) 7.98 19.16 -86.38 3 5 2 61 485.672 10

Activity (Go SEA)

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