UCSF

ZINC36877045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.37 3.66 -45.66 4 4 1 66 246.334 4
Hi High (pH 8-9.5) 0.37 4.26 -7.1 3 4 0 64 245.326 4
Lo Low (pH 4.5-6) 0.37 4.52 -117.32 5 4 2 67 247.342 4

Activity (Go SEA)

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