UCSF

ZINC71789649

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 29 Yes

Popular Name: HPTS HPTS

Find On: PubMed — Wikipedia — Google

CAS Numbers: 27928-00-3 , [27928-00-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -4.93 -4.72 -165 1 10 -3 192 457.439 3 ↓
Hi High (pH 8-9.5) -4.93 -4 -253.58 0 10 -4 195 456.431 3 ↓

Activity (Go SEA)

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

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