UCSF

ZINC32122473

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) 1.84 4.93 -11.26 1 4 0 44 276.38 3
Lo Low (pH 4.5-6) 1.84 6.62 -50.41 2 4 1 45 277.388 3

Activity (Go SEA)

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