UCSF

ZINC38735656

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 31 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) 2.75 10.61 -22.46 1 7 0 82 451.577 4
Lo Low (pH 4.5-6) 2.75 11.05 -38.19 2 7 1 83 452.585 4

Activity (Go SEA)

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