UCSF

ZINC37819309

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -2.85 0.9 -97.28 5 8 2 102 301.391 5
Hi High (pH 8-9.5) -2.85 -1.23 -15.23 3 8 0 99 299.375 5
Hi High (pH 8-9.5) -2.85 0.55 -46.32 4 8 1 100 300.383 5

Activity (Go SEA)

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