UCSF

ZINC69189154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 19 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) -1.85 5.57 -43.91 4 7 0 122 279.325 5
Hi High (pH 8-9.5) -1.85 4.84 -100.58 2 7 -2 119 277.309 5
Mid Mid (pH 6-8) -1.85 5.12 -70.24 3 7 -1 121 278.317 5

Activity (Go SEA)

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

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