UCSF

ZINC42802270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 3.56 6.23 -49.77 1 4 -1 65 247.661 3
Lo Low (pH 4.5-6) 3.56 6.69 -42.25 2 4 0 66 248.669 3

Activity (Go SEA)

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