UCSF

ZINC27657234

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 23 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) 3.55 8.36 -52.63 2 4 1 46 328.823 4
Hi High (pH 8-9.5) 3.55 5.82 -18.72 1 4 0 45 327.815 4

Activity (Go SEA)

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