UCSF

ZINC46093064

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 16 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 9.68 -32.63 1 3 1 31 228.356 10
Hi High (pH 8-9.5) 3.45 7.8 -4.71 0 3 0 30 227.348 10

Activity (Go SEA)

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