UCSF

ZINC62605653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 13 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) -0.01 1.4 -26.62 2 4 1 40 180.231 0
Hi High (pH 8-9.5) -0.01 0.99 -8.5 1 4 0 39 179.223 0
Lo Low (pH 4.5-6) -0.01 2.35 -51.42 2 4 1 44 180.231 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.