UCSF

ZINC37804818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.14 0.55 -55.06 3 5 1 82 263.383 5
Hi High (pH 8-9.5) -0.14 0.48 -16.79 2 5 0 80 262.375 5

Activity (Go SEA)

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