UCSF

ZINC38221489

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 16 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) 2.87 8.84 -45.46 0 2 -1 40 221.251 2
Lo Low (pH 4.5-6) 2.87 6.82 -6.04 1 2 0 37 222.259 2

Activity (Go SEA)

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