UCSF

ZINC04338882

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 13 Yes

Popular Name: LS-86217 LS-86217

Find On: PubMed — Wikipedia — Google

CAS Number: 26278-65-9

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) 1.93 4.24 -9.16 1 2 0 29 175.231 0 ↓
Ref Reference (pH 7) 2.00 2.69 -26.25 2 2 1 34 176.239 0 ↓
Mid Mid (pH 6-8) 2.00 1.15 -4.89 1 2 0 33 175.231 0 ↓

Activity (Go SEA)

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