UCSF

ZINC41664733

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 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) 6.71 12.26 -12.66 0 4 0 43 472.755 3
Lo Low (pH 4.5-6) 6.71 15.01 -47.3 1 4 1 44 473.763 3

Activity (Go SEA)

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