UCSF

ZINC13511680

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 Yes

Other Names:

MFCD00135583

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -3.61 2.02 -150.64 7 13 -1 215 444.428 9
Hi High (pH 8-9.5) -3.61 1.62 -131.18 6 13 -2 213 443.42 9
Lo Low (pH 4.5-6) -3.61 0.09 -104.12 8 13 0 212 445.436 9

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

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