UCSF

ZINC43476886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 3.70 4.89 -5.91 2 2 0 32 251.688 3
Hi High (pH 8-9.5) 3.70 5.66 -41.69 1 2 -1 35 250.68 3

Activity (Go SEA)

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