UCSF

ZINC38239789

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 31 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) 4.09 9.7 -8.33 1 5 0 48 430.939 3
Lo Low (pH 4.5-6) 4.09 10.91 -33.82 2 5 1 49 431.947 3

Activity (Go SEA)

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