UCSF

ZINC39644917

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -3.98 -7.6 -99.47 9 7 2 134 221.257 2
Hi High (pH 8-9.5) -3.98 -7.69 -9.54 7 7 0 131 219.241 2
Mid Mid (pH 6-8) -3.98 -7.37 -40.3 8 7 1 132 220.249 2

Activity (Go SEA)

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