UCSF

ZINC06547892

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 32 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) 3.58 11.96 -20.28 1 8 0 95 466.592 9
Hi High (pH 8-9.5) 3.77 10.75 -51.95 0 8 -1 101 465.584 9

Activity (Go SEA)

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