UCSF

ZINC34972906

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.06 5.63 -10.06 1 3 0 46 256.758 2
Hi High (pH 8-9.5) 3.52 3.61 -38.56 0 3 -1 49 255.75 2

Activity (Go SEA)

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