UCSF

ZINC41729850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 1.23 8.38 -47.48 3 3 1 56 286.786 1
Hi High (pH 8-9.5) 1.23 8.07 -6.46 2 3 0 55 285.778 1

Activity (Go SEA)

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