UCSF

ZINC48439576

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 2.74 9.08 -31.55 1 4 1 44 273.404 2
Hi High (pH 8-9.5) 2.74 7.02 -6.55 0 4 0 43 272.396 2

Activity (Go SEA)

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