UCSF

ZINC43402034

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.91 1.91 -97.19 4 5 2 71 214.313 5
Hi High (pH 8-9.5) 0.91 1.67 -39.56 3 5 1 69 213.305 5

Activity (Go SEA)

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