UCSF

ZINC27644375

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -2.35 -10.66 -53.93 4 10 -1 152 296.263 3
Mid Mid (pH 6-8) -2.35 -10.11 -62.86 4 10 -1 157 296.263 3
Mid Mid (pH 6-8) -2.35 -10.09 -116.29 3 10 -2 155 295.255 3
Lo Low (pH 4.5-6) -2.35 -10.69 -24.73 5 10 0 154 297.271 3

Activity (Go SEA)

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

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