UCSF

ZINC37490544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 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) 0.84 3.29 -26.83 2 8 0 117 310.335 5
Hi High (pH 8-9.5) 0.66 2.86 -65.01 1 8 -1 116 309.327 6
Lo Low (pH 4.5-6) 0.84 3.35 -42.63 3 8 1 119 311.343 5

Activity (Go SEA)

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

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