UCSF

ZINC20899181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 34 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) 5.05 13.11 -10.36 2 6 0 84 489.622 2
Hi High (pH 8-9.5) 5.39 11.68 -49.16 2 6 -1 90 488.614 3

Activity (Go SEA)

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