UCSF

ZINC25464852

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 2.75 7.75 -23.12 3 7 0 104 456.574 7
Hi High (pH 8-9.5) 3.21 6.65 -52.49 2 7 -1 107 455.566 7

Activity (Go SEA)

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