UCSF

ZINC13011614

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 24 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) 2.54 5.93 -17.04 2 6 0 88 363.826 4
Mid Mid (pH 6-8) 3.00 4.29 -54.19 1 6 -1 91 362.818 4

Activity (Go SEA)

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

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