UCSF

ZINC35022217

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 4.60 10.88 -34.11 1 2 1 22 284.37 9
Hi High (pH 8-9.5) 4.60 8.92 -8.65 0 2 0 20 283.362 9

Activity (Go SEA)

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