UCSF

ZINC32120000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 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) 1.66 2.49 -8.25 2 4 0 54 272.348 6
Lo Low (pH 4.5-6) 1.66 2.93 -38.41 3 4 1 56 273.356 6
Lo Low (pH 4.5-6) 1.66 3.98 -54.05 3 4 1 59 273.356 6

Activity (Go SEA)

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