UCSF

ZINC38740226

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 18 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) -0.43 -1.24 -17.76 3 7 0 111 263.282 4
Hi High (pH 8-9.5) -0.37 -2.8 -56.78 2 7 -1 117 262.274 4

Activity (Go SEA)

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

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