UCSF

ZINC03820526

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 29 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) 2.43 -2.2 -16.48 4 8 0 124 406.479 10
Hi High (pH 8-9.5) 2.62 -1.63 -55.66 3 8 -1 131 405.471 10
Hi High (pH 8-9.5) 2.43 -1.63 -55.66 3 8 -1 127 405.471 10

Activity (Go SEA)

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