UCSF

ZINC67867388

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2011 18 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) 1.77 6.56 -88.65 4 3 2 41 256.434 6
Hi High (pH 8-9.5) 1.77 4.65 -41.15 3 3 1 40 255.426 6

Activity (Go SEA)

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