UCSF

ZINC31962116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) -1.57 -2.98 -52.93 6 7 1 113 269.325 7
Mid Mid (pH 6-8) -1.57 -3.31 -18.51 5 7 0 112 268.317 7

Activity (Go SEA)

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