UCSF

ZINC10342351

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2007 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) 3.97 -3.51 -9.61 1 5 0 68 378.397 5
Hi High (pH 8-9.5) 3.97 -2.95 -38.87 0 5 -1 70 377.389 5

Activity (Go SEA)

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