UCSF

ZINC48355050

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 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) 2.85 7.78 -9.1 1 4 0 48 339.414 6
Lo Low (pH 4.5-6) 2.85 8.08 -57.76 2 4 1 53 340.422 6
Lo Low (pH 4.5-6) 2.85 10.08 -45.29 2 4 1 49 340.422 6

Activity (Go SEA)

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