UCSF

ZINC42811675

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) -1.79 -2.5 -49.41 5 6 1 95 230.288 5
Hi High (pH 8-9.5) -1.61 -3.77 -54.82 4 6 0 101 229.28 5
Hi High (pH 8-9.5) -1.79 -2.88 -6.46 4 6 0 93 229.28 5

Activity (Go SEA)

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