UCSF

ZINC43428368

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.01 1.72 -8.92 1 5 0 67 297.376 2
Hi High (pH 8-9.5) 2.01 2.49 -43.82 0 5 -1 70 296.368 2

Activity (Go SEA)

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