UCSF

ZINC43424275

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) -0.52 -1.02 -51.21 4 5 1 69 228.316 4
Lo Low (pH 4.5-6) -0.52 0.86 -99.51 5 5 2 70 229.324 4

Activity (Go SEA)

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