UCSF

ZINC42098721

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 17 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) 0.76 7.08 -38.11 3 5 1 59 234.327 1
Hi High (pH 8-9.5) 0.76 4.94 -6.51 2 5 0 58 233.319 1
Mid Mid (pH 6-8) 0.76 7.53 -78.76 4 5 2 61 235.335 1
Mid Mid (pH 6-8) 0.76 7.44 -87.84 4 5 2 61 235.335 1

Activity (Go SEA)

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

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