UCSF

ZINC44659516

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 1.83 7.29 -28.6 3 4 1 54 220.296 5
Mid Mid (pH 6-8) 1.83 6.82 -9.66 2 4 0 53 219.288 5

Activity (Go SEA)

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