UCSF

ZINC04372094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 26 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) 1.17 6.5 -11.71 1 7 0 88 355.442 9
Lo Low (pH 4.5-6) 1.17 6.77 -45.61 2 7 1 89 356.45 9

Activity (Go SEA)

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