UCSF

ZINC37001707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.63 5.41 -94.63 5 4 2 61 275.396 4
Hi High (pH 8-9.5) 0.62 2.65 -7.57 3 4 0 58 273.38 4
Mid Mid (pH 6-8) 0.63 5.08 -40.31 4 4 1 60 274.388 4

Activity (Go SEA)

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