UCSF

ZINC26165816

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) 0.38 4.75 -65.4 3 6 -1 105 323.328 5
Hi High (pH 8-9.5) 0.38 5.53 -109.18 2 6 -2 108 322.32 5

Activity (Go SEA)

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