UCSF

ZINC32057180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) -0.08 4.27 -96.51 4 5 2 56 298.475 5
Lo Low (pH 4.5-6) -0.08 4.2 -99.26 4 5 2 56 298.475 5
Lo Low (pH 4.5-6) -0.08 6.61 -171.5 5 5 3 57 299.483 5

Activity (Go SEA)

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