UCSF

ZINC33773969

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 30 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) 3.68 8.58 -22.48 2 9 0 130 425.47 6
Hi High (pH 8-9.5) 3.87 7.5 -45.4 1 9 -1 136 424.462 6

Activity (Go SEA)

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