UCSF

ZINC37019189

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.10 2.01 -46.96 4 5 1 75 240.327 2
Hi High (pH 8-9.5) 0.10 0.68 -16.82 3 5 0 70 239.319 2

Activity (Go SEA)

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