UCSF

ZINC25264736

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 21 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) 1.88 3.92 -20.88 2 6 0 84 307.375 7
Hi High (pH 8-9.5) 1.88 4.49 -11.58 2 6 0 84 307.375 7
Lo Low (pH 4.5-6) 1.88 5.34 -64.31 3 6 1 89 308.383 7

Activity (Go SEA)

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