UCSF

ZINC37438434

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 3.86 8.34 -11.08 1 3 0 42 285.416 2
Mid Mid (pH 6-8) 4.54 8.33 -10.49 2 3 0 44 285.416 2
Lo Low (pH 4.5-6) 3.86 8.75 -25.86 2 3 1 43 286.424 2
Lo Low (pH 4.5-6) 4.54 8.5 -20.05 3 3 1 45 286.424 2

Activity (Go SEA)

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