UCSF

ZINC35747542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 33 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) 2.01 5.6 -55.43 3 8 1 92 471.603 9
Hi High (pH 8-9.5) 2.46 2.97 -49.62 2 8 0 95 470.595 9
Lo Low (pH 4.5-6) 2.01 7.92 -129.57 4 8 2 93 472.611 9

Activity (Go SEA)

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