UCSF

ZINC75629585

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2012 25 Yes

CAS Number: 902135-89-1

Other Names:

MFCD13185134

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) 1.43 3.37 -48.68 5 7 1 103 362.841 4
Mid Mid (pH 6-8) 1.43 3.38 -53.39 5 7 1 103 362.841 4

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

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