UCSF

ZINC35172363

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 25 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) 5.21 11.32 -7.95 1 4 0 42 401.352 5
Lo Low (pH 4.5-6) 5.21 11.26 -31.63 2 4 1 47 402.36 5

Activity (Go SEA)

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