UCSF

ZINC37020099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.13 5.2 -45.01 4 5 1 73 285.371 5
Hi High (pH 8-9.5) -0.13 4.96 -9.2 3 5 0 71 284.363 5
Mid Mid (pH 6-8) -0.13 5.65 -89.85 5 5 2 74 286.379 5

Activity (Go SEA)

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