UCSF

ZINC68226323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 22 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) 2.57 8.83 -38.59 2 4 1 57 300.426 6
Hi High (pH 8-9.5) 2.57 6.5 -6.7 1 4 0 56 299.418 6

Activity (Go SEA)

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