UCSF

ZINC34829606

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 4.25 13.6 -17.2 0 5 0 44 491.632 5
Mid Mid (pH 6-8) 4.25 15.32 -52.17 1 5 1 45 492.64 5

Activity (Go SEA)

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