UCSF

ZINC05380451

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 28 Yes

CAS Number: 67-97-0

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) 7.68 13.51 -2.19 1 1 0 20 384.648 6

Vendor Notes

Note Type Comments Provided By
Target Vascular cell adhesion protein 1(P19320)&E-selectin(P16581)&Collagen alpha-2(I) chain(P08123)&Prolactin(P01236)&Ornithine decarboxylase(P11926)&Activity-regulated cytoskeleton-associated protein(Q7LC44)&Tyrosine 3-monooxygenase(P07101)&BDNF/NT-3 growth fa Herbal Ingredients Targets

Activity (Go SEA)

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