UCSF

ZINC44018118

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 27 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) -0.82 -2.41 -14.77 3 9 0 133 372.381 5
Hi High (pH 8-9.5) -0.82 -2.44 -16.86 3 9 0 133 372.381 5

Activity (Go SEA)

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