UCSF

ZINC39229298

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 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) 3.28 11.98 -11.67 1 5 0 58 426.442 6
Lo Low (pH 4.5-6) 3.28 12.46 -33.62 2 5 1 59 427.45 6

Activity (Go SEA)

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