UCSF

ZINC48652575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 19 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) 4.77 6.85 -39.26 0 3 -1 48 406.652 3
Mid Mid (pH 6-8) 4.77 6.39 -8.76 1 3 0 46 407.66 3

Activity (Go SEA)

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