UCSF

ZINC25145846

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 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) 6.33 15.21 -11.98 0 4 0 42 391.474 5
Lo Low (pH 4.5-6) 6.33 15.55 -29.16 1 4 1 43 392.482 5
Lo Low (pH 4.5-6) 6.33 15.55 -26.49 1 4 1 43 392.482 5

Activity (Go SEA)

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