UCSF

ZINC43425117

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.01 5.25 -45.08 3 3 1 40 275.416 3
Hi High (pH 8-9.5) 1.01 4.84 -3.23 2 3 0 38 274.408 3
Lo Low (pH 4.5-6) 1.01 7.17 -133.5 4 3 2 41 276.424 3

Activity (Go SEA)

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