UCSF

ZINC01864144

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 27 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) 5.26 10.73 -22.84 2 7 0 103 418.887 5
Hi High (pH 8-9.5) 4.38 10.57 -61.59 1 7 -1 100 417.879 5

Activity (Go SEA)

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