UCSF

ZINC19913145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 2.44 8.08 -107.68 3 4 2 40 298.471 5
Hi High (pH 8-9.5) 2.44 6.79 -33.47 2 4 1 35 297.463 5
Mid Mid (pH 6-8) 2.44 5.88 -41.62 2 4 1 38 297.463 5

Activity (Go SEA)

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