UCSF

ZINC36882743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.45 7.78 -38.26 3 2 1 30 287.349 4
Lo Low (pH 4.5-6) 1.45 8.01 -124.32 4 2 2 32 288.357 4

Activity (Go SEA)

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