UCSF

ZINC36430625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 28 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) 3.98 10.02 -13.62 1 5 0 54 397.544 5
Lo Low (pH 4.5-6) 3.98 10.34 -32.02 2 5 1 56 398.552 5

Activity (Go SEA)

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