UCSF

ZINC31958298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) -2.29 3.17 -76.19 3 8 -1 130 317.325 7
Mid Mid (pH 6-8) -2.29 3.58 -72.01 4 8 0 131 318.333 7

Activity (Go SEA)

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