UCSF

ZINC19411667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 15 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) 0.03 5.86 -47.96 2 4 1 51 213.301 5
Hi High (pH 8-9.5) 0.03 3.53 -19.56 1 4 0 49 212.293 5

Activity (Go SEA)

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