UCSF

ZINC43434529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.42 5.81 -28.87 3 4 0 77 316.195 6
Hi High (pH 8-9.5) 1.42 6.55 -41.02 2 4 -1 80 315.187 6

Activity (Go SEA)

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