UCSF

ZINC43461082

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 2.26 5.7 -13.68 1 4 0 54 289.136 2
Hi High (pH 8-9.5) 2.26 5.25 -35.99 0 4 -1 53 288.128 2
Lo Low (pH 4.5-6) 2.26 6.22 -38.85 2 4 1 56 290.144 2

Activity (Go SEA)

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