UCSF

ZINC75528344

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2012 10 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 -5.53 -15.64 6 6 0 118 142.118 0
Hi High (pH 8-9.5) -1.20 -5.12 -38.82 5 6 -1 121 141.11 0
Mid Mid (pH 6-8) -1.20 -4.35 -32.78 7 6 1 119 143.126 0

Activity (Go SEA)

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

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