UCSF

ZINC95098804

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 55 No

CAS Number: 14197-60-5

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Annotations

Vendors

    None

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) 3.69 -1.62 -17.93 9 13 0 219 785.025 10

Vendor Notes

Note Type Comments Provided By
Target 72 kDa type IV collagenase(P08253)&Apoptosis regulator BAX(Q07812)&Caspase-1(P29466)&Caspase-3(P42574)&Interleukin-2(P60568)&Interleukin-4(P05112)&Proto-oncogene c-Fos(P01100)&Cytochrome P450 2C9(P11712)&Cytochrome P450 3A4(P08684)&Collagen alpha-1(III) c Herbal Ingredients Targets

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

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