UCSF

ZINC44418940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 24 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) 3.90 5.07 -32.13 5 5 1 85 332.468 10
Mid Mid (pH 6-8) 3.90 4.95 -44.77 5 5 1 86 332.468 10
Mid Mid (pH 6-8) 3.90 4.61 -9.01 4 5 0 84 331.46 10
Lo Low (pH 4.5-6) 3.90 5.32 -110.18 6 5 2 87 333.476 10

Activity (Go SEA)

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