UCSF

ZINC07329664

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2006 28 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) 3.35 12.03 -15.27 0 6 0 54 395.532 7
Lo Low (pH 4.5-6) 3.35 12.82 -28.33 1 6 0 55 396.54 7

Activity (Go SEA)

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