UCSF

ZINC49548282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 21 No

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) 2.90 3.01 -12 4 7 0 113 390.288 3
Mid Mid (pH 6-8) 1.98 2.47 -45.77 3 7 -1 112 389.28 4
Lo Low (pH 4.5-6) 2.90 3.48 -32.65 5 7 1 114 391.296 3

Activity (Go SEA)

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

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