UCSF

ZINC36881085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.32 6.42 -42.72 2 4 1 54 247.318 3
Hi High (pH 8-9.5) 0.32 5.33 -12.8 1 4 0 49 246.31 3

Activity (Go SEA)

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