UCSF

ZINC48724736

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 20 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) 1.28 5.61 -8.1 1 5 0 62 271.32 4
Lo Low (pH 4.5-6) 1.28 6.12 -38.05 2 5 1 64 272.328 4

Activity (Go SEA)

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