UCSF

ZINC38138119

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) -1.07 7.91 -122.67 7 11 -1 200 447.497 9
Lo Low (pH 4.5-6) -1.07 5.89 -77.43 8 11 0 198 448.505 9

Activity (Go SEA)

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