UCSF

ZINC05083550

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 28 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) 4.81 11.29 -24.56 1 5 0 56 393.512 7
Mid Mid (pH 6-8) 4.81 11.73 -31.99 2 5 1 57 394.52 7

Activity (Go SEA)

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