UCSF

ZINC15772361

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 40 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) 4.74 21.44 -332.01 5 6 5 25 566 23
Mid Mid (pH 6-8) 4.74 23.5 -478.73 6 6 6 27 567.008 23
Mid Mid (pH 6-8) 4.74 19.31 -201.76 4 6 4 24 564.992 23
Mid Mid (pH 6-8) 4.74 18.97 -228.46 4 6 4 24 564.992 23

Activity (Go SEA)

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