UCSF

ZINC35029423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 4.03 8.06 -50.28 1 3 -1 60 319.465 5
Lo Low (pH 4.5-6) 4.03 6.09 -6.38 2 3 0 58 320.473 5

Activity (Go SEA)

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