UCSF

ZINC60214349

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 20 No

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) -1.48 1.27 -16.27 3 9 0 141 278.224 3
Hi High (pH 8-9.5) -0.58 -0.72 -41.89 2 9 -1 144 277.216 3
Hi High (pH 8-9.5) -0.58 -0.89 -43.82 2 9 -1 144 277.216 3

Activity (Go SEA)

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