UCSF

ZINC36873879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.43 6.01 -53.4 4 4 1 66 274.388 6
Hi High (pH 8-9.5) 1.43 5.69 -8.37 3 4 0 64 273.38 6
Lo Low (pH 4.5-6) 1.43 6.38 -121.32 5 4 2 67 275.396 6

Activity (Go SEA)

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