UCSF

ZINC07056413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 21 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) 4.42 -3.08 -7.23 1 4 0 55 346.235 4
Hi High (pH 8-9.5) 4.42 -2.52 -40.46 0 4 -1 57 345.227 4

Activity (Go SEA)

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