UCSF

ZINC04845907

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2006 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) 4.40 11.32 -33.3 1 3 1 31 272.453 12
Hi High (pH 8-9.5) 4.40 9.09 -4.42 0 3 0 30 271.445 12

Activity (Go SEA)

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