UCSF

ZINC32119995

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) 1.45 3.04 -8.47 2 4 0 54 272.348 7
Lo Low (pH 4.5-6) 1.45 3.48 -40.03 3 4 1 56 273.356 7
Lo Low (pH 4.5-6) 1.45 4.46 -56.42 3 4 1 59 273.356 7

Activity (Go SEA)

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