UCSF

ZINC01839844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 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) 4.65 7.88 -36.6 0 5 -1 63 373.841 5
Mid Mid (pH 6-8) 4.65 8.32 -16.05 1 5 0 60 374.849 5

Activity (Go SEA)

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