UCSF

ZINC34234429

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.75 5.6 -9.56 2 3 0 48 236.274 2
Lo Low (pH 4.5-6) 2.75 6.02 -33.82 3 3 1 49 237.282 2

Activity (Go SEA)

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