UCSF

ZINC19384526

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 1.93 7.48 -41.91 1 3 1 25 292.241 3
Hi High (pH 8-9.5) 1.93 5.07 -5.85 0 3 0 24 291.233 3

Activity (Go SEA)

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