UCSF

ZINC35372552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 34 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) 6.55 15.92 -12.27 0 5 0 49 477.052 6
Lo Low (pH 4.5-6) 6.55 16.24 -39.72 1 5 1 51 478.06 6

Activity (Go SEA)

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