UCSF

ZINC19809476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 2.73 7.82 -126.23 4 2 2 32 260.425 2
Hi High (pH 8-9.5) 2.73 7.51 -28.86 3 2 1 30 259.417 2
Hi High (pH 8-9.5) 2.73 5.78 -46.6 3 2 1 31 259.417 2

Activity (Go SEA)

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