UCSF

ZINC37818305

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.53 0.5 -51.66 4 7 1 95 283.352 4
Hi High (pH 8-9.5) -0.34 -2.15 -71.77 3 7 0 101 282.344 4

Activity (Go SEA)

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