UCSF

ZINC34627225

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) -1.00 -0.24 -52.31 4 6 1 82 251.31 4
Hi High (pH 8-9.5) -1.00 -1.55 -10.69 3 6 0 77 250.302 4

Activity (Go SEA)

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