UCSF

ZINC05868476

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 23 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) 4.03 8.93 -11.13 2 5 0 60 334.441 7
Hi High (pH 8-9.5) 3.28 7.87 -36.92 1 5 -1 66 333.433 6

Activity (Go SEA)

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