UCSF

ZINC32146885

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 3.52 7.12 -56.67 2 4 -1 79 289.38 4
Lo Low (pH 4.5-6) 3.52 7.51 -55.7 3 4 0 80 290.388 4

Activity (Go SEA)

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