UCSF

ZINC37800356

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -1.13 1.1 -47.95 3 5 1 64 249.338 3
Hi High (pH 8-9.5) -1.13 0.73 -9.36 2 5 0 62 248.33 3
Lo Low (pH 4.5-6) -1.13 3.33 -110.38 4 5 2 65 250.346 3

Activity (Go SEA)

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