UCSF

ZINC02420446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 5.63 11.55 -47.39 2 7 1 90 480.459 10
Mid Mid (pH 6-8) 5.63 12.34 -28.58 1 7 0 93 479.451 10

Activity (Go SEA)

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