UCSF

ZINC00701768

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 2.41 10.14 -20.79 0 6 0 57 484.572 7
Mid Mid (pH 6-8) 2.41 12.36 -69.15 1 6 1 58 485.58 7

Activity (Go SEA)

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