UCSF

ZINC34827210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 17 No

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) -3.65 3.52 -61.35 3 6 -1 109 281.379 10
Hi High (pH 8-9.5) -3.65 4.14 -97.11 3 6 -2 109 280.371 10
Lo Low (pH 4.5-6) -3.65 4.65 -57.73 4 6 0 113 282.387 10

Activity (Go SEA)

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