UCSF

ZINC45655969

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 2.17 3.03 -39.38 3 3 1 46 210.297 6
Hi High (pH 8-9.5) 2.17 3.78 -34.17 2 3 0 49 209.289 6

Activity (Go SEA)

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