UCSF

ZINC37980248

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 2.13 -0.56 -15.36 4 5 0 90 259.261 3
Hi High (pH 8-9.5) 2.13 0.45 -61.09 3 5 -1 93 258.253 3

Activity (Go SEA)

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