UCSF

ZINC07109382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2006 22 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) 1.58 3.16 -39.05 0 7 -1 93 325.366 6
Lo Low (pH 4.5-6) 1.58 3 -12.45 1 7 0 91 326.374 6

Activity (Go SEA)

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