UCSF

ZINC60669143

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.87 6.89 -48.32 3 5 1 62 287.387 4
Lo Low (pH 4.5-6) 1.87 7.38 -86.62 4 5 2 63 288.395 4

Activity (Go SEA)

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