UCSF

ZINC36851534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.60 2.41 -55.11 2 6 1 66 282.364 6
Hi High (pH 8-9.5) -0.60 1.14 -10.59 1 6 0 62 281.356 6
Lo Low (pH 4.5-6) -0.60 3.41 -44.42 2 6 1 63 282.364 6
Lo Low (pH 4.5-6) -0.60 4.68 -121.85 3 6 2 68 283.372 6

Activity (Go SEA)

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