UCSF

ZINC02041330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 21 Yes

CAS Number: 57-27-2

Download: MOL2 SDF SMILES Flexibase

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) 1.10 2.43 -48.33 3 4 1 54 286.351 0
Hi High (pH 8-9.5) 1.10 0.4 -8.93 2 4 0 53 285.343 0

Vendor Notes

Note Type Comments Provided By
Target Corticoliberin(P06850)&Interleukin-2(P60568)&Midkine(P21741)&Interleukin-6(P05231)&Disks large homolog 4(P78352)&Vesicular glutamate transporter 1(Q9P2U7)&72 kDa type IV collagenase(P08253)&Prostaglandin G/H synthase 2(P35354)&Prostaglandin E2 receptor EP Herbal Ingredients Targets

Activity (Go SEA)

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

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