UCSF

ZINC37744830

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 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) 1.20 1.67 -48.62 2 7 -1 115 284.248 4
Mid Mid (pH 6-8) 1.20 1.69 -110.88 1 7 -2 117 283.24 4

Activity (Go SEA)

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

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