UCSF

ZINC39262880

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 23 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) 1.76 4.01 -11.86 1 5 0 57 337.489 8
Lo Low (pH 4.5-6) 1.76 6.3 -43.51 2 5 1 58 338.497 8

Activity (Go SEA)

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