UCSF

ZINC06689299

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 30 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) 3.82 13.69 -16.17 0 5 0 51 419.912 7
Mid Mid (pH 6-8) 3.82 14.18 -44.59 1 5 1 53 420.92 7

Activity (Go SEA)

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