UCSF

ZINC01588044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 21 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) -1.58 -1.36 -49.33 6 9 1 135 297.339 8
Lo Low (pH 4.5-6) -1.58 -1.09 -97.22 7 9 2 136 298.347 8
Lo Low (pH 4.5-6) -1.58 -5.47 -90.01 7 9 2 136 298.347 8

Activity (Go SEA)

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