UCSF

ZINC07445215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2006 23 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) 3.18 8.62 -39.32 2 4 1 43 313.421 8
Hi High (pH 8-9.5) 3.18 6.55 -9.38 1 4 0 42 312.413 8

Activity (Go SEA)

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