UCSF

ZINC36318762

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.14 7.56 -13.87 1 3 0 38 331.213 2
Lo Low (pH 4.5-6) 4.14 7.87 -26.73 2 3 1 39 332.221 2

Activity (Go SEA)

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