UCSF

ZINC43599811

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 17 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) 0.36 4.24 -48.62 2 5 1 53 255.367 4
Lo Low (pH 4.5-6) 0.36 4.69 -86.6 3 5 2 54 256.375 4

Activity (Go SEA)

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