UCSF

ZINC40053983

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 28 No

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) 2.81 5.34 -61.03 1 6 -1 90 445.289 7
Lo Low (pH 4.5-6) 2.81 4.58 -14.77 2 6 0 87 446.297 7

Activity (Go SEA)

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