UCSF

ZINC04499982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 20 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) 0.56 -0.61 -53.01 2 8 -1 119 294.316 4
Hi High (pH 8-9.5) 0.73 -0.35 -41.79 2 8 -1 118 294.316 3
Mid Mid (pH 6-8) 0.56 -0.64 -120.12 1 8 -2 117 293.308 4

Activity (Go SEA)

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

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