UCSF

ZINC36131075

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) -1.70 -3.35 -15.56 3 8 0 123 275.286 5
Mid Mid (pH 6-8) -1.25 -5.05 -38.9 2 8 -1 126 274.278 5
Mid Mid (pH 6-8) -1.25 -5.89 -49.77 2 8 -1 126 274.278 5

Activity (Go SEA)

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

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