UCSF

ZINC35221905

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 2.82 7.29 -35.03 2 2 1 26 232.347 3
Hi High (pH 8-9.5) 2.82 6.08 -2.83 1 2 0 21 231.339 3

Activity (Go SEA)

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