UCSF

ZINC00897263

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 23 No

Popular Name: ium ium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 115-63-9 , 6004-98-4

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) -0.43 0.1 -31.8 1 3 1 23 317.497 4 ↓
Mid Mid (pH 6-8) -0.43 2.43 -107.34 2 3 2 24 318.505 4 ↓

Activity (Go SEA)

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