UCSF

ZINC19850989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 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) 4.57 14.15 -19.24 1 5 0 60 446.601 5
Lo Low (pH 4.5-6) 4.57 14.6 -40.48 2 5 1 61 447.609 5

Activity (Go SEA)

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