UCSF

ZINC19966221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) 2.52 0.01 -13.36 3 5 0 71 259.261 3
Hi High (pH 8-9.5) 2.52 0.78 -43.62 2 5 -1 74 258.253 3

Activity (Go SEA)

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