UCSF

ZINC39382595

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 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) 2.74 4.76 -8.67 1 3 0 47 200.621 4
Hi High (pH 8-9.5) 2.74 5.76 -49.17 0 3 -1 49 199.613 4

Activity (Go SEA)

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