UCSF

ZINC32141457

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) 2.62 6.77 -10.61 1 4 0 43 288.372 3
Lo Low (pH 4.5-6) 2.62 7.15 -28.07 2 4 1 45 289.38 3

Activity (Go SEA)

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