UCSF

ZINC35959089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 2.05 7.15 -55.47 2 7 1 66 423.622 9
Mid Mid (pH 6-8) 2.05 9.42 -104.65 3 7 2 68 424.63 9

Activity (Go SEA)

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