UCSF

ZINC60709062

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 19 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) 3.69 8.48 -51.03 2 2 1 29 296.221 5
Lo Low (pH 4.5-6) 3.69 8.92 -99.62 3 2 2 31 297.229 5

Activity (Go SEA)

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