UCSF

ZINC34823109

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 19 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) 2.44 7.71 -38.56 2 4 1 38 265.425 5
Hi High (pH 8-9.5) 2.44 6.3 -3.62 1 4 0 33 264.417 5

Activity (Go SEA)

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