UCSF

ZINC29568874

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 36 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) 5.50 18 -60.27 2 6 1 67 484.599 9
Hi High (pH 8-9.5) 5.50 15.76 -17.62 1 6 0 66 483.591 9

Activity (Go SEA)

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