UCSF

ZINC38781406

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 23 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) 5.05 7.99 -8.36 0 3 0 29 306.34 2
Lo Low (pH 4.5-6) 5.05 8.76 -43.15 1 3 0 30 307.348 2

Activity (Go SEA)

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