UCSF

ZINC31943632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 2.34 7.8 -16.52 0 6 0 69 335.363 4
Lo Low (pH 4.5-6) 2.34 8.21 -37.52 1 6 1 71 336.371 4

Activity (Go SEA)

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