UCSF

ZINC58332739

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 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) 2.15 6.37 -99.47 4 5 2 51 327.476 5
Hi High (pH 8-9.5) 2.15 7.4 -45.51 3 5 1 46 326.468 5
Mid Mid (pH 6-8) 2.15 6.26 -56.32 3 5 1 50 326.468 5
Lo Low (pH 4.5-6) 2.15 7.52 -77.4 4 5 2 48 327.476 5
Lo Low (pH 4.5-6) 2.15 8.72 -193.45 5 5 3 52 328.484 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.