UCSF

ZINC05084128

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 24 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) 3.21 -4.96 -19.77 1 5 0 63 357.46 4
Hi High (pH 8-9.5) 3.21 -4.38 -56.32 0 5 -1 66 356.452 4

Activity (Go SEA)

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