UCSF

ZINC40175836

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 21 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) 3.70 8.68 -14.7 1 6 0 87 284.25 3
Hi High (pH 8-9.5) 3.70 8.54 -50.84 0 6 -1 86 283.242 3

Activity (Go SEA)

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