UCSF

ZINC20723744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.58 8.8 -11.32 2 5 0 71 356.476 4
Hi High (pH 8-9.5) 3.76 6.24 -44.63 1 5 -1 72 355.468 4
Mid Mid (pH 6-8) 3.58 8.6 -13.54 2 5 0 71 356.476 4
Mid Mid (pH 6-8) 3.76 6.4 -11.23 2 5 0 74 356.476 4

Activity (Go SEA)

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