UCSF

ZINC39854121

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 25 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) 3.56 6.4 -15.53 1 6 0 73 360.797 5
Ref Reference (pH 7) 3.56 7.11 -16.43 1 6 0 73 360.797 5
Hi High (pH 8-9.5) 3.56 8.23 -64.9 0 6 -1 76 359.789 5
Hi High (pH 8-9.5) 3.56 7.41 -58.78 0 6 -1 76 359.789 5

Activity (Go SEA)

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