UCSF

ZINC62319578

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.19 4.94 -30.08 2 5 1 58 276.408 7
Hi High (pH 8-9.5) 1.19 4.47 -12.99 1 5 0 57 275.4 7
Mid Mid (pH 6-8) 1.19 6.15 -86.19 3 5 2 63 277.416 7

Activity (Go SEA)

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

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