UCSF

ZINC57292064

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 26 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) 3.42 8.89 -38.04 1 5 1 48 356.421 6
Hi High (pH 8-9.5) 3.42 8.52 -14.41 0 5 0 47 355.413 6

Activity (Go SEA)

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