UCSF

ZINC32113413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 No

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) 0.46 1.56 -11.71 1 5 0 53 264.325 4
Lo Low (pH 4.5-6) 0.46 3.84 -52.28 2 5 1 54 265.333 4

Activity (Go SEA)

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