UCSF

ZINC50672789

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 20 No

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) -1.22 -1.44 -48.97 3 11 -1 171 298.264 5
Lo Low (pH 4.5-6) -1.22 -1.44 -17.08 4 11 0 172 299.272 5
Lo Low (pH 4.5-6) -1.22 -1.31 -19.94 4 11 0 172 299.272 5

Activity (Go SEA)

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