UCSF

ZINC18009168

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 27 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) 1.74 10.59 -15.24 0 8 0 82 389.843 5
Mid Mid (pH 6-8) 1.74 11.06 -54.19 1 8 1 83 390.851 5

Activity (Go SEA)

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