UCSF

ZINC32122773

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.33 3.99 -6.43 2 3 0 45 276.767 5
Lo Low (pH 4.5-6) 2.33 5.15 -52.48 3 3 1 50 277.775 5

Activity (Go SEA)

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