UCSF

ZINC48345850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 2.41 5.06 -47.04 3 5 1 68 351.492 9
Hi High (pH 8-9.5) 2.41 3.94 -11.03 2 5 0 64 350.484 9

Activity (Go SEA)

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