UCSF

ZINC43802592

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 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) -0.42 0.26 -41.09 2 5 1 48 233.332 8
Hi High (pH 8-9.5) -0.42 -1.46 -5.29 1 5 0 43 232.324 8
Mid Mid (pH 6-8) -0.42 2.18 -94.51 3 5 2 49 234.34 8

Activity (Go SEA)

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