UCSF

ZINC43708650

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) 0.16 4.03 -56.32 3 6 1 71 277.348 3
Hi High (pH 8-9.5) 0.16 2.68 -13.09 2 6 0 66 276.34 3
Mid Mid (pH 6-8) 0.16 4.49 -95.07 4 6 2 72 278.356 3

Activity (Go SEA)

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