UCSF

ZINC59539906

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 13 No

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) 0.46 3.86 -43.46 2 3 1 34 223.387 6
Hi High (pH 8-9.5) 0.46 4.2 -41.36 2 3 0 34 222.379 6

Activity (Go SEA)

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