UCSF

ZINC22919408

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 2.94 6.06 -39.19 2 5 1 40 390.592 9
Hi High (pH 8-9.5) 2.94 6.11 -40.92 2 5 1 40 390.592 9
Lo Low (pH 4.5-6) 2.94 8.34 -110.73 3 5 2 42 391.6 9

Activity (Go SEA)

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