UCSF

ZINC37599175

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 21 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) 1.23 8.24 -26.54 1 5 0 70 305.403 7
Hi High (pH 8-9.5) 1.23 6.15 -53.4 0 5 -1 69 304.395 7

Activity (Go SEA)

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

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