UCSF

ZINC51740372

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -1.83 -1.26 -20.6 2 8 0 85 327.429 8
Lo Low (pH 4.5-6) -1.83 0.94 -47.31 3 8 1 86 328.437 8
Lo Low (pH 4.5-6) -1.83 0.93 -49.34 3 8 1 86 328.437 8

Activity (Go SEA)

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