UCSF

ZINC41721082

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 3.49 8.09 -83.54 3 3 2 31 257.381 3
Hi High (pH 8-9.5) 3.49 7.66 -44.13 2 3 1 29 256.373 3

Activity (Go SEA)

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