UCSF

ZINC16614166

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 32 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) 3.88 9.39 -20.24 1 7 0 75 458.628 12
Hi High (pH 8-9.5) 3.70 8.2 -44.92 0 7 -1 81 457.62 12

Activity (Go SEA)

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