UCSF

ZINC20362615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 2.31 4.66 -39.92 3 4 1 46 322.738 4
Hi High (pH 8-9.5) 2.31 3.84 -44.78 3 4 1 49 322.738 4
Hi High (pH 8-9.5) 2.31 2.42 -9.17 2 4 0 44 321.73 4
Lo Low (pH 4.5-6) 2.31 6.07 -120.18 4 4 2 50 323.746 4

Activity (Go SEA)

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