UCSF

ZINC31908012

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) -0.41 0.99 -8.08 2 5 0 65 290.241 4
Mid Mid (pH 6-8) -0.41 1.32 -57.51 3 5 1 66 291.249 4

Activity (Go SEA)

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