UCSF

ZINC36778348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) -0.32 3.23 -41.77 2 4 1 50 194.258 4
Hi High (pH 8-9.5) -0.32 1.79 -12.96 1 4 0 45 193.25 4
Lo Low (pH 4.5-6) -0.32 3.66 -86.6 3 4 2 51 195.266 4

Activity (Go SEA)

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