UCSF

ZINC22943566

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 20 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) 2.14 6.25 -36.11 2 4 1 37 276.404 4
Hi High (pH 8-9.5) 2.14 3.86 -10 1 4 0 36 275.396 4

Activity (Go SEA)

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