UCSF

ZINC25118950

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 23 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) 2.99 10.41 -38.78 2 4 1 57 306.389 6
Hi High (pH 8-9.5) 2.99 8.25 -9.06 1 4 0 56 305.381 6

Activity (Go SEA)

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