UCSF

ZINC25358409

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 25 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) 1.73 7.66 -55.24 2 7 1 70 347.439 8
Hi High (pH 8-9.5) 1.73 5.6 -16.54 1 7 0 69 346.431 8

Activity (Go SEA)

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