UCSF

ZINC31913902

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 4.86 10.11 -11.87 1 3 0 38 316.404 3
Mid Mid (pH 6-8) 4.86 10.53 -28.54 2 3 1 39 317.412 3

Activity (Go SEA)

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