UCSF

ZINC26979757

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 52 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) 8.09 21.94 -101.59 4 8 2 92 715.036 6
Hi High (pH 8-9.5) 8.09 20.7 -50.22 3 8 1 88 714.028 6

Activity (Go SEA)

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