UCSF

ZINC49608244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 14 No

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) -0.28 6.15 -19.81 0 5 0 64 201.222 6
Hi High (pH 8-9.5) -0.27 5.09 -53.73 0 5 -1 70 200.214 6

Activity (Go SEA)

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