UCSF

ZINC60084831

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 24 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) 3.48 11.05 -99.85 2 5 -1 97 340.484 10
Lo Low (pH 4.5-6) 3.48 8.92 -51.55 3 5 0 94 341.492 10

Activity (Go SEA)

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