UCSF

ZINC36987182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) 1.25 6.22 -9.64 0 3 0 46 204.273 6
Lo Low (pH 4.5-6) 1.25 6.57 -32.78 1 3 1 47 205.281 6

Activity (Go SEA)

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