UCSF

ZINC20014517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.52 6.43 -35.26 2 2 1 20 229.432 9
Hi High (pH 8-9.5) 3.52 8.45 -29.89 2 2 1 16 229.432 9
Mid Mid (pH 6-8) 3.52 8.41 -119.48 3 2 2 21 230.44 9

Activity (Go SEA)

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