UCSF

ZINC02482179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.23 0.26 -52.14 2 2 1 29 231.294 5
Lo Low (pH 4.5-6) 2.23 0.38 -114.55 3 2 2 30 232.302 5

Activity (Go SEA)

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