UCSF

ZINC06315573

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 29 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) 2.64 -1.34 -21.37 1 8 0 99 415.471 7
Hi High (pH 8-9.5) 2.64 -0.79 -55.27 0 8 -1 101 414.463 7

Activity (Go SEA)

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