UCSF

ZINC24262852

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 27 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) 4.86 12.69 -18.61 1 4 0 46 373.481 5
Lo Low (pH 4.5-6) 4.86 13.1 -43.17 2 4 1 48 374.489 5

Activity (Go SEA)

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