UCSF

ZINC19481220

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 4.14 6.8 -39.82 3 3 1 46 265.421 2
Hi High (pH 8-9.5) 4.14 5.72 -10.07 2 3 0 41 264.413 2

Activity (Go SEA)

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