UCSF

ZINC31961103

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 1.62 4.37 -53.13 5 5 1 82 319.816 7
Mid Mid (pH 6-8) 1.62 4.83 -91.88 6 5 2 83 320.824 7

Activity (Go SEA)

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