UCSF

ZINC07423266

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2006 24 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) 3.67 -4.43 -11.98 2 5 0 75 344.436 5
Hi High (pH 8-9.5) 3.67 -3.85 -41.97 1 5 -1 77 343.428 5

Activity (Go SEA)

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