UCSF

ZINC71748513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2011 25 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) 2.35 9.41 -41.4 1 6 1 45 344.483 6
Hi High (pH 8-9.5) 2.35 7.03 -10.7 0 6 0 44 343.475 6

Activity (Go SEA)

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