UCSF

ZINC32122438

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) 4.48 10.14 -47.66 0 3 -1 49 275.368 8
Lo Low (pH 4.5-6) 4.48 9.02 -9.44 1 3 0 47 276.376 8

Activity (Go SEA)

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