UCSF

ZINC05083891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 27 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) 3.36 8.02 -25.7 1 6 0 65 381.457 5
Mid Mid (pH 6-8) 3.36 8.45 -38.46 2 6 1 67 382.465 5

Activity (Go SEA)

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