UCSF

ZINC19409518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 1.70 9.75 -18.34 0 3 0 37 233.311 4
Hi High (pH 8-9.5) 1.72 9.65 -48.23 0 3 -1 43 232.303 4

Activity (Go SEA)

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