UCSF

ZINC17246309

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 3.16 8.14 -60.2 0 6 -1 79 394.447 8
Mid Mid (pH 6-8) 2.57 8.62 -12.71 0 6 0 73 395.455 8
Mid Mid (pH 6-8) 3.16 8.23 -12.56 1 6 0 76 395.455 8

Activity (Go SEA)

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