UCSF

ZINC34863462

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 No

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) 6.00 11 -9.97 0 5 0 53 422.531 5
Lo Low (pH 4.5-6) 6.00 11.29 -28.87 1 5 1 54 423.539 5
Lo Low (pH 4.5-6) 6.00 10.15 -30.02 1 5 1 54 423.539 5

Activity (Go SEA)

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