UCSF

ZINC35448666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 2.56 9.98 -26.95 1 7 0 81 415.497 6
Lo Low (pH 4.5-6) 2.56 10.39 -54.02 2 7 1 83 416.505 6

Activity (Go SEA)

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