UCSF

ZINC26157545

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 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) 2.59 5.41 -48.45 3 7 1 84 332.428 4
Hi High (pH 8-9.5) 2.59 5.24 -63.65 2 7 0 83 331.42 4

Activity (Go SEA)

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