UCSF

ZINC20000297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 2.07 2.3 -90.68 0 7 -2 114 362.186 4
Lo Low (pH 4.5-6) 2.07 2.24 -52.57 1 7 -1 112 363.194 4

Activity (Go SEA)

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

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