UCSF

ZINC69077964

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 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) 1.77 10.07 -109.4 2 4 2 29 283.46 6
Hi High (pH 8-9.5) 1.77 8.21 -31.73 1 4 1 28 282.452 6
Mid Mid (pH 6-8) 1.77 8.35 -36.26 1 4 1 28 282.452 6

Activity (Go SEA)

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

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