UCSF

ZINC62968208

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 2.55 6.01 -33.53 2 3 1 28 289.443 4
Mid Mid (pH 6-8) 2.55 5.82 -34.34 2 3 1 28 289.443 4
Lo Low (pH 4.5-6) 2.55 8.17 -106.69 3 3 2 29 290.451 4

Activity (Go SEA)

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

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