UCSF

ZINC15920079

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 No

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) 3.09 6.46 -63.51 1 6 -1 90 394.447 8
Mid Mid (pH 6-8) 3.54 5.38 -30.35 2 6 0 87 395.455 7
Mid Mid (pH 6-8) 2.51 6.36 -24.15 1 6 0 84 395.455 8

Activity (Go SEA)

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