UCSF

ZINC31962317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -0.46 -0.09 -51.97 4 6 1 82 251.31 3
Mid Mid (pH 6-8) -0.46 -0.41 -17.18 3 6 0 80 250.302 3

Activity (Go SEA)

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