UCSF

ZINC27852100

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 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) 2.87 7.54 -51.88 3 2 1 33 223.299 2
Hi High (pH 8-9.5) 2.87 7.15 -6.68 2 2 0 31 222.291 2

Activity (Go SEA)

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