UCSF

ZINC20215504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 No

Other Names:

MFCD01315867

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) 2.06 6.21 -37.56 1 4 0 53 261.35 4
Hi High (pH 8-9.5) 2.06 2.52 -8.16 1 4 0 49 261.35 4
Hi High (pH 8-9.5) 2.06 3.71 -42.25 0 4 -1 52 260.342 4
Mid Mid (pH 6-8) 2.80 6.06 -32.73 2 4 1 50 262.358 3

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

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