UCSF

ZINC23371264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 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) 3.86 6.29 -50.39 0 4 -1 61 349.794 3
Mid Mid (pH 6-8) 3.86 6.81 -35.44 1 4 0 62 350.802 3
Lo Low (pH 4.5-6) 3.86 6.27 -12.03 1 4 0 59 350.802 3

Activity (Go SEA)

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

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