UCSF

ZINC06729508

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 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) 3.75 6.32 -5.54 0 3 0 27 268.36 3
Lo Low (pH 4.5-6) 3.75 7.81 -25.29 1 3 1 28 269.368 3

Activity (Go SEA)

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