UCSF

ZINC69849965

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 16 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) 0.22 3.94 -52.59 3 4 1 55 224.328 4
Hi High (pH 8-9.5) 0.22 3.55 -7.33 2 4 0 53 223.32 4
Mid Mid (pH 6-8) 0.22 4.4 -108 4 4 2 56 225.336 4

Activity (Go SEA)

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

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