UCSF

ZINC43700231

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) -1.21 4.36 -39.92 3 4 0 71 222.288 5
Hi High (pH 8-9.5) -1.21 3.65 -47.5 2 4 -1 69 221.28 5
Hi High (pH 8-9.5) -1.21 5.51 -38.55 3 4 0 71 222.288 5
Lo Low (pH 4.5-6) -1.21 5.83 -72.89 4 4 1 72 223.296 5

Activity (Go SEA)

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