UCSF

ZINC70188259

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 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) 1.36 5.02 -92.19 4 4 2 45 285.476 6
Hi High (pH 8-9.5) 1.36 2.71 -43.46 3 4 1 43 284.468 6
Lo Low (pH 4.5-6) 1.36 7.04 -165.06 5 4 3 46 286.484 6

Activity (Go SEA)

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

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