UCSF

ZINC71611103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.40 3.12 -129.11 4 10 -1 156 503.962 9
Hi High (pH 8-9.5) 1.40 1 -131.42 3 10 -2 154 502.954 9
Mid Mid (pH 6-8) 1.40 2 -58.47 5 10 0 153 504.97 9

Activity (Go SEA)

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

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