UCSF

ZINC20064348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 2.60 7.18 -15.29 1 3 0 38 228.295 2
Hi High (pH 8-9.5) 3.06 5.96 -49.12 0 3 -1 41 227.287 2

Activity (Go SEA)

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