UCSF

ZINC19680431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 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) 1.09 2.66 -44.24 2 5 1 57 304.48 6
Lo Low (pH 4.5-6) 1.09 5.04 -124.76 3 5 2 58 305.488 6
Lo Low (pH 4.5-6) 1.09 3.64 -43.6 2 5 1 54 304.48 6

Activity (Go SEA)

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