UCSF

ZINC06696689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 26 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) 3.00 11.76 -17.53 0 4 0 38 351.425 6
Mid Mid (pH 6-8) 3.00 12.25 -30.88 1 4 1 39 352.433 6

Activity (Go SEA)

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