UCSF

ZINC40845771

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 2.34 4.63 -13.53 1 5 0 72 264.24 0
Hi High (pH 8-9.5) 2.34 5.41 -50.45 0 5 -1 75 263.232 0

Activity (Go SEA)

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