UCSF

ZINC37225079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 No

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) 0.27 0.68 -31.9 3 4 1 55 188.276 2
Hi High (pH 8-9.5) 0.27 0.65 -30.03 3 4 1 55 188.276 3

Activity (Go SEA)

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

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