UCSF

ZINC34683228

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 4.89 10.83 -40.71 2 5 1 54 417.529 6
Hi High (pH 8-9.5) 4.89 11.58 -41.17 1 5 0 57 416.521 6

Activity (Go SEA)

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