UCSF

ZINC41264144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.29 6.28 -33.35 1 3 1 17 235.351 5
Hi High (pH 8-9.5) 2.29 4 -4.16 0 3 0 16 234.343 5
Mid Mid (pH 6-8) 2.29 6.27 -34.37 1 3 1 17 235.351 5

Activity (Go SEA)

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