UCSF

ZINC68909461

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 15 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 2.64 -28.91 2 4 1 43 208.285 3
Hi High (pH 8-9.5) -0.01 2.17 -7.96 1 4 0 41 207.277 3
Mid Mid (pH 6-8) -0.01 4.88 -103.23 3 4 2 44 209.293 3
Lo Low (pH 4.5-6) -0.01 4.42 -43.81 2 4 1 42 208.285 3

Activity (Go SEA)

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

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