UCSF

ZINC15986556

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 25 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) 3.37 7.74 -16.47 1 5 0 68 455.38 4
Mid Mid (pH 6-8) 3.37 8.66 -58.67 0 5 -1 70 454.372 4

Activity (Go SEA)

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