UCSF

ZINC48345599

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 20 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) 1.67 4.51 -53.97 3 7 1 85 276.368 6
Lo Low (pH 4.5-6) 1.67 4.98 -110.69 4 7 2 86 277.376 6

Activity (Go SEA)

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