UCSF

ZINC08617842

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 38 No

Popular Name: MES MES

Find On: PubMed — Wikipedia — Google

CAS Number: 3398-48-9

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) 1.80 2.88 -15.32 4 12 0 184 520.498 7 ↓
Mid Mid (pH 6-8) 1.80 2.88 -13.45 4 12 0 184 520.498 7 ↓

Activity (Go SEA)

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