UCSF

ZINC17003013

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 16 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) 0.00 -0.72 -11.92 2 6 0 92 252.28 0
Hi High (pH 8-9.5) 0.92 -2.34 -87.15 0 6 -2 98 250.264 0
Hi High (pH 8-9.5) 0.46 -1.53 -40.88 1 6 -1 95 251.272 0

Activity (Go SEA)

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

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