UCSF

ZINC43696303

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) 2.69 6.57 -18.71 2 6 0 78 344.44 3
Hi High (pH 8-9.5) 2.31 5.29 -50.52 1 6 -1 85 343.432 4

Activity (Go SEA)

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