UCSF

ZINC06753194

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 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) 3.45 5.48 -15.04 3 6 0 89 377.444 5
Hi High (pH 8-9.5) 3.45 6.43 -42.63 2 6 -1 92 376.436 5

Activity (Go SEA)

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