UCSF

ZINC36968730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.01 2.42 -100.14 1 7 -2 121 326.355 5
Hi High (pH 8-9.5) 1.47 0.29 -168.26 0 7 -3 124 325.347 5
Mid Mid (pH 6-8) 1.01 2.29 -45.85 2 7 -1 119 327.363 5

Activity (Go SEA)

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

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