UCSF

ZINC32125870

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) 2.01 7.78 -52.71 0 5 -1 74 278.328 6
Lo Low (pH 4.5-6) 2.01 6.66 -11.22 1 5 0 71 279.336 6

Activity (Go SEA)

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