UCSF

ZINC48326688

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 23 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) 1.33 6.24 -41.15 2 6 1 54 316.429 5
Hi High (pH 8-9.5) 1.33 3.87 -10.85 1 6 0 53 315.421 5
Lo Low (pH 4.5-6) 1.33 6.74 -74.85 3 6 2 55 317.437 5

Activity (Go SEA)

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