UCSF

ZINC33784749

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 31 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) 3.41 9.31 -33.54 1 8 0 94 501.362 4
Hi High (pH 8-9.5) 3.59 8.23 -65.03 0 8 -1 100 500.354 4

Activity (Go SEA)

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