UCSF

ZINC42809753

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 0.45 -3.24 -38.46 2 7 -1 118 327.791 6
Lo Low (pH 4.5-6) 0.45 -3.41 -15.36 3 7 0 116 328.799 6

Activity (Go SEA)

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