UCSF

ZINC31916080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 4.43 10.97 -13.81 0 4 0 50 303.365 5
Mid Mid (pH 6-8) 4.43 11.39 -36.53 1 4 1 52 304.373 5

Activity (Go SEA)

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