UCSF

ZINC45686738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 1.05 3.94 -56.66 3 6 1 82 284.332 9
Hi High (pH 8-9.5) 1.05 2.59 -10.68 2 6 0 77 283.324 9

Activity (Go SEA)

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