UCSF

ZINC34849685

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 2.46 4.91 -45.48 4 7 1 92 431.553 5
Hi High (pH 8-9.5) 2.46 2.66 -8.05 3 7 0 91 430.545 5
Mid Mid (pH 6-8) 2.46 5.56 -92.3 5 7 2 97 432.561 5

Activity (Go SEA)

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