UCSF

ZINC40056675

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 35 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) 3.91 10.25 -18.28 2 8 0 116 489.915 5
Lo Low (pH 4.5-6) 3.91 10.65 -44.65 3 8 1 117 490.923 5

Activity (Go SEA)

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