UCSF

ZINC20223168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 3.24 7.79 -63.88 3 3 1 45 266.368 3
Lo Low (pH 4.5-6) 3.24 8.2 -101.97 4 3 2 47 267.376 3

Activity (Go SEA)

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