UCSF

ZINC38575648

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 1.68 5.31 -49.78 2 7 -1 106 282.283 2
Mid Mid (pH 6-8) 1.22 6.8 -15.81 3 7 0 103 283.291 2
Lo Low (pH 4.5-6) 1.22 6.98 -39.29 4 7 1 104 284.299 2

Activity (Go SEA)

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

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