UCSF

ZINC41061957

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 2.42 6.67 -31.93 2 2 1 29 235.376 3
Hi High (pH 8-9.5) 2.42 5.54 -4.97 1 2 0 25 234.368 3

Activity (Go SEA)

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