UCSF

ZINC42778055

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.55 4.37 -50.85 3 4 1 49 265.303 5
Hi High (pH 8-9.5) 1.55 3.99 -6.6 2 4 0 47 264.295 5

Activity (Go SEA)

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