UCSF

ZINC15935760

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 24 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) 4.09 9.78 -45.87 2 4 1 47 323.416 4
Mid Mid (pH 6-8) 4.28 8.31 -79.5 3 4 2 52 324.424 3

Activity (Go SEA)

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