UCSF

ZINC40100156

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 4.99 11.33 -49.43 0 4 -1 60 400.857 6
Lo Low (pH 4.5-6) 4.99 10.57 -9.98 1 4 0 58 401.865 6

Activity (Go SEA)

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