UCSF

ZINC34858428

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 2.06 5.61 -18.54 1 7 0 73 428.558 6
Mid Mid (pH 6-8) 2.06 7.75 -60.89 2 7 1 74 429.566 6

Activity (Go SEA)

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